1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide

C17H17F3N6O — CID 130285533

IUPAC1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide
SMILESN#CC1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)14-7-11(5-6-23-14)24-16-12(15(22)27)9-26(25-16)13-4-2-1-3-10(13)8-21/h5-7,9-10,13H,1-4H2,(H2,22,27)(H,23,24,25)/t10?,13-/m0/s1
InChIKeyQHFTXUDSGLRLAA-HQVZTVAUSA-N
MW378.36 g/mol
LogP3.39
Rot. Bonds4

About 1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide

1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide (PubChem CID 130285533) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is 1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide
PubChem CID130285533
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC Name1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide
SMILESN#CC1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)14-7-11(5-6-23-14)24-16-12(15(22)27)9-26(25-16)13-4-2-1-3-10(13)8-21/h5-7,9-10,13H,1-4H2,(H2,22,27)(H,23,24,25)/t10?,13-/m0/s1
InChIKeyQHFTXUDSGLRLAA-HQVZTVAUSA-N
XLogP3.39
TPSA109.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide
CID 123527862
1-[(1R)-2-cyanocyclohexyl]-3-[[1-oxo-2-(2,2,2-trifluoroethyl)-3H-isoindol-5-yl]amino]pyrazole-4-carboxamide
CID 89471090
1-(2-cyanocyclohexyl)-3-[4-(pyridin-4-ylsulfamoyl)anilino]pyrazole-4-carboxamide
CID 89464013
1-[(1S,2S)-2-cyanocyclohexyl]-3-[4-(pyridin-4-ylsulfamoyl)anilino]pyrazole-4-carboxamide
CID 90369664
3-(4-acetylanilino)-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 89471116
1-[(2S)-2-cyanocyclohexyl]-3-[(1,1-dioxo-1-benzothiophen-5-yl)amino]pyrazole-4-carboxamide
CID 90367200
1-(2-cyanocyclohexyl)-3-[(1,1-dioxo-1-benzothiophen-5-yl)amino]pyrazole-4-carboxamide
CID 89464190
1-[(3R,4R)-3-cyanooxan-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 90343582
1-[(1S,2S,4R)-2-cyano-4-(dimethylamino)cyclohexyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 90367291
1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide
CID 89463355
1-[(1S,2S)-2-cyanocyclohexyl]-3-[(5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide
CID 90355888
1-[(4S)-4-cyanothiolan-3-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 90348942

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide?
The IUPAC name of 1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide (CID 130285533) is 1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide is N#CC1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide?
The InChIKey is QHFTXUDSGLRLAA-HQVZTVAUSA-N. The full InChI is InChI=1S/C17H17F3N6O/c18-17(19,20)14-7-11(5-6-23-14)24-16-12(15(22)27)9-26(25-16)13-4-2-1-3-10(13)8-21/h5-7,9-10,13H,1-4H2,(H2,22,27)(H,23,24,25)/t10?,13-/m0/s1.
What are the key properties of 1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide?
1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide is sourced from PubChem (CID 130285533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).