N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C22H24N4O — CID 9268455

IUPACN-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C22H24N4O/c27-22(24-18-10-4-1-2-5-11-18)20-16-26(19-12-6-3-7-13-19)25-21(20)17-9-8-14-23-15-17/h3,6-9,12-16,18H,1-2,4-5,10-11H2,(H,24,27)
InChIKeyFHGIWNDOQQXXDV-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.39
Rot. Bonds4

About N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 9268455) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID9268455
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C22H24N4O/c27-22(24-18-10-4-1-2-5-11-18)20-16-26(19-12-6-3-7-13-19)25-21(20)17-9-8-14-23-15-17/h3,6-9,12-16,18H,1-2,4-5,10-11H2,(H,24,27)
InChIKeyFHGIWNDOQQXXDV-UHFFFAOYSA-N
XLogP4.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 78767481
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55906395
N-(2-oxoazepan-3-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 71892750
N-[(3S)-2-oxoazepan-3-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 94133021
1-phenyl-3-pyridin-3-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 8001480
4-[(1,3-diphenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229120
N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 56533831
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 46540299
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9461304
N-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24612015

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 9268455) is N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is O=C(NC1CCCCCC1)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is FHGIWNDOQQXXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(24-18-10-4-1-2-5-11-18)20-16-26(19-12-6-3-7-13-19)25-21(20)17-9-8-14-23-15-17/h3,6-9,12-16,18H,1-2,4-5,10-11H2,(H,24,27).
What are the key properties of N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 9268455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).