4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide

C24H23N3O — CID 71453003

IUPAC4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCc1cccc(C2=NN(C(=O)Nc3ccccc3)CC2Cc2ccccc2)c1
InChIInChI=1S/C24H23N3O/c1-18-9-8-12-20(15-18)23-21(16-19-10-4-2-5-11-19)17-27(26-23)24(28)25-22-13-6-3-7-14-22/h2-15,21H,16-17H2,1H3,(H,25,28)
InChIKeyRAGYWYVHJWEEIO-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.11
Rot. Bonds4

About 4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide

4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 71453003) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID71453003
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCc1cccc(C2=NN(C(=O)Nc3ccccc3)CC2Cc2ccccc2)c1
InChIInChI=1S/C24H23N3O/c1-18-9-8-12-20(15-18)23-21(16-19-10-4-2-5-11-19)17-27(26-23)24(28)25-22-13-6-3-7-14-22/h2-15,21H,16-17H2,1H3,(H,25,28)
InChIKeyRAGYWYVHJWEEIO-UHFFFAOYSA-N
XLogP5.11
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 71453003) is 4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide is Cc1cccc(C2=NN(C(=O)Nc3ccccc3)CC2Cc2ccccc2)c1.
What is the InChIKey of 4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is RAGYWYVHJWEEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-18-9-8-12-20(15-18)23-21(16-19-10-4-2-5-11-19)17-27(26-23)24(28)25-22-13-6-3-7-14-22/h2-15,21H,16-17H2,1H3,(H,25,28).
What are the key properties of 4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 71453003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).