N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide

C24H29N7O2 — CID 171706114

IUPACN-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(C2CCCCN2C(=O)c2ncn(-c3ccccc3)n2)[nH]n1)C1CCCCC1
InChIInChI=1S/C24H29N7O2/c32-23(17-9-3-1-4-10-17)26-21-15-19(27-28-21)20-13-7-8-14-30(20)24(33)22-25-16-31(29-22)18-11-5-2-6-12-18/h2,5-6,11-12,15-17,20H,1,3-4,7-10,13-14H2,(H2,26,27,28,32)
InChIKeyQVGQKUFLBRFCHP-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.88
Rot. Bonds5

About N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide

N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide (PubChem CID 171706114) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide
PubChem CID171706114
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC NameN-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(C2CCCCN2C(=O)c2ncn(-c3ccccc3)n2)[nH]n1)C1CCCCC1
InChIInChI=1S/C24H29N7O2/c32-23(17-9-3-1-4-10-17)26-21-15-19(27-28-21)20-13-7-8-14-30(20)24(33)22-25-16-31(29-22)18-11-5-2-6-12-18/h2,5-6,11-12,15-17,20H,1,3-4,7-10,13-14H2,(H2,26,27,28,32)
InChIKeyQVGQKUFLBRFCHP-UHFFFAOYSA-N
XLogP3.88
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide
CID 171706065
N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide
CID 171706048
cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 95838089
N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42880791
N-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 171705721
N-[5-[1-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-propylcyclohexane-1-carboxamide
CID 171683345
N-(5-cycloheptyl-1H-pyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119329584
N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914
(2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97347741
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
CID 90545334
cis-ethyl (1R,3S)-3-[[5-[1-[2-(4-fluoroindol-1-yl)acetyl]piperidin-2-yl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate
CID 171684584
N-cyclopentyl-5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268878

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide (CID 171706114) is N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide is O=C(Nc1cc(C2CCCCN2C(=O)c2ncn(-c3ccccc3)n2)[nH]n1)C1CCCCC1.
What is the InChIKey of N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide?
The InChIKey is QVGQKUFLBRFCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c32-23(17-9-3-1-4-10-17)26-21-15-19(27-28-21)20-13-7-8-14-30(20)24(33)22-25-16-31(29-22)18-11-5-2-6-12-18/h2,5-6,11-12,15-17,20H,1,3-4,7-10,13-14H2,(H2,26,27,28,32).
What are the key properties of N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide?
N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 171706114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).