N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C18H21N7O — CID 91822811

IUPACN-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c(CCC2CCCC2)n1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C18H21N7O/c26-17(15-11-14(22-23-15)13-7-9-19-10-8-13)21-18-20-16(24-25-18)6-5-12-3-1-2-4-12/h7-12H,1-6H2,(H,22,23)(H2,20,21,24,25,26)
InChIKeyYBCPSYBVCGDXTE-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.96
Rot. Bonds6

About N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 91822811) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID91822811
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c(CCC2CCCC2)n1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C18H21N7O/c26-17(15-11-14(22-23-15)13-7-9-19-10-8-13)21-18-20-16(24-25-18)6-5-12-3-1-2-4-12/h7-12H,1-6H2,(H,22,23)(H2,20,21,24,25,26)
InChIKeyYBCPSYBVCGDXTE-UHFFFAOYSA-N
XLogP2.96
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 125441800
N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 71701499
N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53014349
N-(4-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087363
(2S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 125432253
N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53008238
N-(4-bromo-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 110676567
3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 36580295
N'-(2-cyclopentylacetyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803224
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 91640308
N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087403

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 91822811) is N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is O=C(Nc1n[nH]c(CCC2CCCC2)n1)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is YBCPSYBVCGDXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c26-17(15-11-14(22-23-15)13-7-9-19-10-8-13)21-18-20-16(24-25-18)6-5-12-3-1-2-4-12/h7-12H,1-6H2,(H,22,23)(H2,20,21,24,25,26).
What are the key properties of N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91822811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).