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

C24H22ClN3O — CID 71451170

IUPAC4-benzyl-5-(4-chloro-3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCc1cc(C2=NN(C(=O)Nc3ccccc3)CC2Cc2ccccc2)ccc1Cl
InChIInChI=1S/C24H22ClN3O/c1-17-14-19(12-13-22(17)25)23-20(15-18-8-4-2-5-9-18)16-28(27-23)24(29)26-21-10-6-3-7-11-21/h2-14,20H,15-16H2,1H3,(H,26,29)
InChIKeyZTCBBXBKENLBTH-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.76
Rot. Bonds4

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

4-benzyl-5-(4-chloro-3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 71451170) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is 4-benzyl-5-(4-chloro-3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-5-(4-chloro-3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID71451170
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name4-benzyl-5-(4-chloro-3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCc1cc(C2=NN(C(=O)Nc3ccccc3)CC2Cc2ccccc2)ccc1Cl
InChIInChI=1S/C24H22ClN3O/c1-17-14-19(12-13-22(17)25)23-20(15-18-8-4-2-5-9-18)16-28(27-23)24(29)26-21-10-6-3-7-11-21/h2-14,20H,15-16H2,1H3,(H,26,29)
InChIKeyZTCBBXBKENLBTH-UHFFFAOYSA-N
XLogP5.76
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-(4-chloro-3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 4-benzyl-5-(4-chloro-3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 71451170) is 4-benzyl-5-(4-chloro-3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 4-benzyl-5-(4-chloro-3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 4-benzyl-5-(4-chloro-3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide is Cc1cc(C2=NN(C(=O)Nc3ccccc3)CC2Cc2ccccc2)ccc1Cl.
What is the InChIKey of 4-benzyl-5-(4-chloro-3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is ZTCBBXBKENLBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-17-14-19(12-13-22(17)25)23-20(15-18-8-4-2-5-9-18)16-28(27-23)24(29)26-21-10-6-3-7-11-21/h2-14,20H,15-16H2,1H3,(H,26,29).
What are the key properties of 4-benzyl-5-(4-chloro-3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
4-benzyl-5-(4-chloro-3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-(4-chloro-3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 71451170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).