4-chloro-N-(1-cyclohexyl-3-phenylpyrazol-5-yl)benzamide

C22H22ClN3O — CID 42601146

IUPAC4-chloro-N-(1-cyclohexyl-3-phenylpyrazol-5-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O/c23-18-13-11-17(12-14-18)22(27)24-21-15-20(16-7-3-1-4-8-16)25-26(21)19-9-5-2-6-10-19/h1,3-4,7-8,11-15,19H,2,5-6,9-10H2,(H,24,27)
InChIKeyKDGIGKBYTDUPHP-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.96
Rot. Bonds4

About 4-chloro-N-(1-cyclohexyl-3-phenylpyrazol-5-yl)benzamide

4-chloro-N-(1-cyclohexyl-3-phenylpyrazol-5-yl)benzamide (PubChem CID 42601146) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 4-chloro-N-(1-cyclohexyl-3-phenylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-cyclohexyl-3-phenylpyrazol-5-yl)benzamide
PubChem CID42601146
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name4-chloro-N-(1-cyclohexyl-3-phenylpyrazol-5-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O/c23-18-13-11-17(12-14-18)22(27)24-21-15-20(16-7-3-1-4-8-16)25-26(21)19-9-5-2-6-10-19/h1,3-4,7-8,11-15,19H,2,5-6,9-10H2,(H,24,27)
InChIKeyKDGIGKBYTDUPHP-UHFFFAOYSA-N
XLogP5.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyclohexyl-3-phenylpyrazol-5-yl)benzamide?
The IUPAC name of 4-chloro-N-(1-cyclohexyl-3-phenylpyrazol-5-yl)benzamide (CID 42601146) is 4-chloro-N-(1-cyclohexyl-3-phenylpyrazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-cyclohexyl-3-phenylpyrazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1-cyclohexyl-3-phenylpyrazol-5-yl)benzamide is O=C(Nc1cc(-c2ccccc2)nn1C1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1-cyclohexyl-3-phenylpyrazol-5-yl)benzamide?
The InChIKey is KDGIGKBYTDUPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c23-18-13-11-17(12-14-18)22(27)24-21-15-20(16-7-3-1-4-8-16)25-26(21)19-9-5-2-6-10-19/h1,3-4,7-8,11-15,19H,2,5-6,9-10H2,(H,24,27).
What are the key properties of 4-chloro-N-(1-cyclohexyl-3-phenylpyrazol-5-yl)benzamide?
4-chloro-N-(1-cyclohexyl-3-phenylpyrazol-5-yl)benzamide has a molecular weight of 379.89 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyclohexyl-3-phenylpyrazol-5-yl)benzamide is sourced from PubChem (CID 42601146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).