3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide

C22H21Cl2N3O — CID 42759394

IUPAC3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccccc2Cl)nn1-c1cccc(Cl)c1
InChIInChI=1S/C22H21Cl2N3O/c23-15-7-6-10-17(13-15)27-21(22(28)25-16-8-2-1-3-9-16)14-20(26-27)18-11-4-5-12-19(18)24/h4-7,10-14,16H,1-3,8-9H2,(H,25,28)
InChIKeySOBSCRNBNZXZLP-UHFFFAOYSA-N
MW414.34 g/mol
LogP5.91
Rot. Bonds4

About 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide

3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide (PubChem CID 42759394) has the molecular formula C22H21Cl2N3O and a molecular weight of 414.34 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide
PubChem CID42759394
Molecular FormulaC22H21Cl2N3O
Molecular Weight414.34 g/mol
Exact Mass413.11
IUPAC Name3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccccc2Cl)nn1-c1cccc(Cl)c1
InChIInChI=1S/C22H21Cl2N3O/c23-15-7-6-10-17(13-15)27-21(22(28)25-16-8-2-1-3-9-16)14-20(26-27)18-11-4-5-12-19(18)24/h4-7,10-14,16H,1-3,8-9H2,(H,25,28)
InChIKeySOBSCRNBNZXZLP-UHFFFAOYSA-N
XLogP5.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.34
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide
CID 4521775
3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5038891
3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 4005097
N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5036469
6-(2-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide
CID 58210870
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide
CID 5106535
2-(3-chlorophenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide
CID 4963637
1-(3-chlorophenyl)-3-(2-fluorophenyl)-N-propan-2-ylpyrazole-5-carboxamide
CID 4006120
N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 812037
N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 1053894
N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3993041
3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide
CID 3453937

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide (CID 42759394) is 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide is O=C(NC1CCCCC1)c1cc(-c2ccccc2Cl)nn1-c1cccc(Cl)c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide?
The InChIKey is SOBSCRNBNZXZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O/c23-15-7-6-10-17(13-15)27-21(22(28)25-16-8-2-1-3-9-16)14-20(26-27)18-11-4-5-12-19(18)24/h4-7,10-14,16H,1-3,8-9H2,(H,25,28).
What are the key properties of 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide?
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide has a molecular weight of 414.34 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide is sourced from PubChem (CID 42759394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).