3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-carboxamide

C22H21BrClN5O2 — CID 162716013

IUPAC3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-carboxamide
SMILESO=C(NC1(C(=O)Nc2ccccc2)CCCCC1)c1cc(Br)nn1-c1ncccc1Cl
InChIInChI=1S/C22H21BrClN5O2/c23-18-14-17(29(28-18)19-16(24)10-7-13-25-19)20(30)27-22(11-5-2-6-12-22)21(31)26-15-8-3-1-4-9-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,26,31)(H,27,30)
InChIKeyVBLNKWVRYYEPEC-UHFFFAOYSA-N
MW502.80 g/mol
LogP4.75
Rot. Bonds5

About 3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-carboxamide

3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-carboxamide (PubChem CID 162716013) has the molecular formula C22H21BrClN5O2 and a molecular weight of 502.80 g/mol. Its IUPAC name is 3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-carboxamide
PubChem CID162716013
Molecular FormulaC22H21BrClN5O2
Molecular Weight502.80 g/mol
Exact Mass501.06
IUPAC Name3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-carboxamide
SMILESO=C(NC1(C(=O)Nc2ccccc2)CCCCC1)c1cc(Br)nn1-c1ncccc1Cl
InChIInChI=1S/C22H21BrClN5O2/c23-18-14-17(29(28-18)19-16(24)10-7-13-25-19)20(30)27-22(11-5-2-6-12-22)21(31)26-15-8-3-1-4-9-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,26,31)(H,27,30)
InChIKeyVBLNKWVRYYEPEC-UHFFFAOYSA-N
XLogP4.75
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.80
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-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

3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]pyrazole-5-carboxamide
CID 162716008
N-[1-[amino(tert-butyl)carbamoyl]cyclopropyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 162716036
3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(3-hydrazinyl-2,3-dioxopropanoyl)cyclopropyl]pyrazole-5-carboxamide
CID 175196750
3-bromo-1-[4-(4-chlorophenyl)phenyl]-N-[1-(phenylcarbamoyl)cyclopropyl]pyrazole-5-carboxamide
CID 162715982
3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide
CID 171679473
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide
CID 178066257
3-bromo-N-(4-chloro-2-methylphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 141285430
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorobenzoyl chloride
CID 175324112
3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 67184068
N-[2-[(2-anilino-2-oxoethoxy)carbamoyl]-4-chloro-6-methylphenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 71512324
3-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chlorobenzoyl chloride
CID 175324124
3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide
CID 167472699

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-carboxamide?
The IUPAC name of 3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-carboxamide (CID 162716013) is 3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-carboxamide is O=C(NC1(C(=O)Nc2ccccc2)CCCCC1)c1cc(Br)nn1-c1ncccc1Cl.
What is the InChIKey of 3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-carboxamide?
The InChIKey is VBLNKWVRYYEPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrClN5O2/c23-18-14-17(29(28-18)19-16(24)10-7-13-25-19)20(30)27-22(11-5-2-6-12-22)21(31)26-15-8-3-1-4-9-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,26,31)(H,27,30).
What are the key properties of 3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-carboxamide?
3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-carboxamide has a molecular weight of 502.80 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-carboxamide is sourced from PubChem (CID 162716013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).