N-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide

C23H18ClN3O — CID 1342673

IUPACN-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClN3O/c1-16-7-9-17(10-8-16)22-21(15-27(26-22)20-5-3-2-4-6-20)23(28)25-19-13-11-18(24)12-14-19/h2-15H,1H3,(H,25,28)
InChIKeyIASJJJIHDRASHB-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.75
Rot. Bonds4

About N-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide

N-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 1342673) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID1342673
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC NameN-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClN3O/c1-16-7-9-17(10-8-16)22-21(15-27(26-22)20-5-3-2-4-6-20)23(28)25-19-13-11-18(24)12-14-19/h2-15H,1H3,(H,25,28)
InChIKeyIASJJJIHDRASHB-UHFFFAOYSA-N
XLogP5.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 1342673) is N-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is IASJJJIHDRASHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O/c1-16-7-9-17(10-8-16)22-21(15-27(26-22)20-5-3-2-4-6-20)23(28)25-19-13-11-18(24)12-14-19/h2-15H,1H3,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
N-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1342673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).