1-(4-chlorophenyl)-N-cyclohexyl-5-pyrrol-1-ylpyrazole-3-carboxamide

C20H21ClN4O — CID 24768459

IUPAC1-(4-chlorophenyl)-N-cyclohexyl-5-pyrrol-1-ylpyrazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H21ClN4O/c21-15-8-10-17(11-9-15)25-19(24-12-4-5-13-24)14-18(23-25)20(26)22-16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2,(H,22,26)
InChIKeyJRJFRWURMSBKJJ-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.38
Rot. Bonds4

About 1-(4-chlorophenyl)-N-cyclohexyl-5-pyrrol-1-ylpyrazole-3-carboxamide

1-(4-chlorophenyl)-N-cyclohexyl-5-pyrrol-1-ylpyrazole-3-carboxamide (PubChem CID 24768459) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclohexyl-5-pyrrol-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclohexyl-5-pyrrol-1-ylpyrazole-3-carboxamide
PubChem CID24768459
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name1-(4-chlorophenyl)-N-cyclohexyl-5-pyrrol-1-ylpyrazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H21ClN4O/c21-15-8-10-17(11-9-15)25-19(24-12-4-5-13-24)14-18(23-25)20(26)22-16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2,(H,22,26)
InChIKeyJRJFRWURMSBKJJ-UHFFFAOYSA-N
XLogP4.38
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclohexyl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclohexyl-5-pyrrol-1-ylpyrazole-3-carboxamide (CID 24768459) is 1-(4-chlorophenyl)-N-cyclohexyl-5-pyrrol-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclohexyl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclohexyl-5-pyrrol-1-ylpyrazole-3-carboxamide is O=C(NC1CCCCC1)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclohexyl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The InChIKey is JRJFRWURMSBKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c21-15-8-10-17(11-9-15)25-19(24-12-4-5-13-24)14-18(23-25)20(26)22-16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2,(H,22,26).
What are the key properties of 1-(4-chlorophenyl)-N-cyclohexyl-5-pyrrol-1-ylpyrazole-3-carboxamide?
1-(4-chlorophenyl)-N-cyclohexyl-5-pyrrol-1-ylpyrazole-3-carboxamide has a molecular weight of 368.87 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclohexyl-5-pyrrol-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 24768459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).