English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1A52

Summary

Name:	N-cyclopropyl-1,4-dimethyl-5-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrazole-3-carboxamide
Formula:	C16 H17 F3 N4 O
Formal charge:	0
Formula weight:	338.328 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	N-cyclopropyl-1,4-dimethyl-5-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrazole-3-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-cyclopropyl-1,4-dimethyl-5-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cc1c(Cc2ccc(nc2)C(F)(F)F)n(C)nc1C(=O)NC1CC1
InChI	InChI	1.06	InChI=1S/C16H17F3N4O/c1-9-12(7-10-3-6-13(20-8-10)16(17,18)19)23(2)22-14(9)15(24)21-11-4-5-11/h3,6,8,11H,4-5,7H2,1-2H3,(H,21,24)
InChIKey	InChI	1.06	AMRWUDNUTGWQIA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1nc(C(=O)NC2CC2)c(C)c1Cc3ccc(nc3)C(F)(F)F
SMILES	CACTVS	3.385	Cn1nc(C(=O)NC2CC2)c(C)c1Cc3ccc(nc3)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(n(nc1C(=O)NC2CC2)C)Cc3ccc(nc3)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(n(nc1C(=O)NC2CC2)C)Cc3ccc(nc3)C(F)(F)F

250359

PDB entries from 2026-03-11

PDB statistics

PDBj update info

Contact PDBj

numon