1-(3-chlorophenyl)-N-(cyclopropylmethyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide

C26H22ClN3O — CID 57332997

IUPAC1-(3-chlorophenyl)-N-(cyclopropylmethyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide
SMILESO=C(NCC1CC1)c1cnn(-c2cccc(Cl)c2)c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H22ClN3O/c27-22-7-4-8-23(15-22)30-25(24(17-29-30)26(31)28-16-18-9-10-18)21-13-11-20(12-14-21)19-5-2-1-3-6-19/h1-8,11-15,17-18H,9-10,16H2,(H,28,31)
InChIKeyFVGJYKATCAXCBV-UHFFFAOYSA-N
MW427.94 g/mol
LogP6.00
Rot. Bonds6

About 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-(cyclopropylmethyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide (PubChem CID 57332997) has the molecular formula C26H22ClN3O and a molecular weight of 427.94 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(cyclopropylmethyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide
PubChem CID57332997
Molecular FormulaC26H22ClN3O
Molecular Weight427.94 g/mol
Exact Mass427.15
IUPAC Name1-(3-chlorophenyl)-N-(cyclopropylmethyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide
SMILESO=C(NCC1CC1)c1cnn(-c2cccc(Cl)c2)c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H22ClN3O/c27-22-7-4-8-23(15-22)30-25(24(17-29-30)26(31)28-16-18-9-10-18)21-13-11-20(12-14-21)19-5-2-1-3-6-19/h1-8,11-15,17-18H,9-10,16H2,(H,28,31)
InChIKeyFVGJYKATCAXCBV-UHFFFAOYSA-N
XLogP6.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.94
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide (CID 57332997) is 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide is O=C(NCC1CC1)c1cnn(-c2cccc(Cl)c2)c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide?
The InChIKey is FVGJYKATCAXCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O/c27-22-7-4-8-23(15-22)30-25(24(17-29-30)26(31)28-16-18-9-10-18)21-13-11-20(12-14-21)19-5-2-1-3-6-19/h1-8,11-15,17-18H,9-10,16H2,(H,28,31).
What are the key properties of 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-(cyclopropylmethyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide has a molecular weight of 427.94 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(cyclopropylmethyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 57332997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).