3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide

C25H20ClN5O — CID 171343938

IUPAC3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESNC(=O)N1N=C(c2ccccc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C25H20ClN5O/c26-19-13-11-18(12-14-19)24-21(16-30(29-24)20-9-5-2-6-10-20)23-15-22(28-31(23)25(27)32)17-7-3-1-4-8-17/h1-14,16,23H,15H2,(H2,27,32)
InChIKeyRPLMDRJNQMFOJT-UHFFFAOYSA-N
MW441.92 g/mol
LogP5.42
Rot. Bonds4

About 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide

3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 171343938) has the molecular formula C25H20ClN5O and a molecular weight of 441.92 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID171343938
Molecular FormulaC25H20ClN5O
Molecular Weight441.92 g/mol
Exact Mass441.14
IUPAC Name3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESNC(=O)N1N=C(c2ccccc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C25H20ClN5O/c26-19-13-11-18(12-14-19)24-21(16-30(29-24)20-9-5-2-6-10-20)23-15-22(28-31(23)25(27)32)17-7-3-1-4-8-17/h1-14,16,23H,15H2,(H2,27,32)
InChIKeyRPLMDRJNQMFOJT-UHFFFAOYSA-N
XLogP5.42
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.92
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 171343938) is 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide is NC(=O)N1N=C(c2ccccc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is RPLMDRJNQMFOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O/c26-19-13-11-18(12-14-19)24-21(16-30(29-24)20-9-5-2-6-10-20)23-15-22(28-31(23)25(27)32)17-7-3-1-4-8-17/h1-14,16,23H,15H2,(H2,27,32).
What are the key properties of 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 171343938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).