N-(cyclopropylmethyl)-1-(2-methylphenyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide

C27H25N3O — CID 57332998

IUPACN-(cyclopropylmethyl)-1-(2-methylphenyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)NCC2CC2)c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H25N3O/c1-19-7-5-6-10-25(19)30-26(24(18-29-30)27(31)28-17-20-11-12-20)23-15-13-22(14-16-23)21-8-3-2-4-9-21/h2-10,13-16,18,20H,11-12,17H2,1H3,(H,28,31)
InChIKeySDHHRQMCSLOMMQ-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.65
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(2-methylphenyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide

N-(cyclopropylmethyl)-1-(2-methylphenyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide (PubChem CID 57332998) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2-methylphenyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2-methylphenyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide
PubChem CID57332998
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC NameN-(cyclopropylmethyl)-1-(2-methylphenyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)NCC2CC2)c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H25N3O/c1-19-7-5-6-10-25(19)30-26(24(18-29-30)27(31)28-17-20-11-12-20)23-15-13-22(14-16-23)21-8-3-2-4-9-21/h2-10,13-16,18,20H,11-12,17H2,1H3,(H,28,31)
InChIKeySDHHRQMCSLOMMQ-UHFFFAOYSA-N
XLogP5.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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CID 3510494

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2-methylphenyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(2-methylphenyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide (CID 57332998) is N-(cyclopropylmethyl)-1-(2-methylphenyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2-methylphenyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2-methylphenyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide is Cc1ccccc1-n1ncc(C(=O)NCC2CC2)c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2-methylphenyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide?
The InChIKey is SDHHRQMCSLOMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c1-19-7-5-6-10-25(19)30-26(24(18-29-30)27(31)28-17-20-11-12-20)23-15-13-22(14-16-23)21-8-3-2-4-9-21/h2-10,13-16,18,20H,11-12,17H2,1H3,(H,28,31).
What are the key properties of N-(cyclopropylmethyl)-1-(2-methylphenyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide?
N-(cyclopropylmethyl)-1-(2-methylphenyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2-methylphenyl)-5-(4-phenylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 57332998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).