N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C21H22N4O2 — CID 78767481

IUPACN-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C21H22N4O2/c26-18-10-8-16(9-11-18)23-21(27)19-14-25(17-6-2-1-3-7-17)24-20(19)15-5-4-12-22-13-15/h1-7,12-14,16,18,26H,8-11H2,(H,23,27)
InChIKeyYMGGQOVDPSCWAY-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.97
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 78767481) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID78767481
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C21H22N4O2/c26-18-10-8-16(9-11-18)23-21(27)19-14-25(17-6-2-1-3-7-17)24-20(19)15-5-4-12-22-13-15/h1-7,12-14,16,18,26H,8-11H2,(H,23,27)
InChIKeyYMGGQOVDPSCWAY-UHFFFAOYSA-N
XLogP2.97
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55906395
4-[(1,3-diphenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229120
N-(2-oxoazepan-3-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 71892750
1-phenyl-3-pyridin-3-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 8001480
N-[(3S)-2-oxoazepan-3-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 94133021
1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9461304
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 46540299
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 120946153
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210094

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 78767481) is N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is O=C(NC1CCC(O)CC1)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is YMGGQOVDPSCWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-18-10-8-16(9-11-18)23-21(27)19-14-25(17-6-2-1-3-7-17)24-20(19)15-5-4-12-22-13-15/h1-7,12-14,16,18,26H,8-11H2,(H,23,27).
What are the key properties of N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 78767481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).