N-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide

C16H14ClN3O — CID 3835788

IUPACN-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1N=CCC1c1ccccc1
InChIInChI=1S/C16H14ClN3O/c17-13-6-8-14(9-7-13)19-16(21)20-15(10-11-18-20)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,19,21)
InChIKeyOPYCQEAYDIBYAD-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.30
Rot. Bonds2

About N-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide

N-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 3835788) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID3835788
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1N=CCC1c1ccccc1
InChIInChI=1S/C16H14ClN3O/c17-13-6-8-14(9-7-13)19-16(21)20-15(10-11-18-20)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,19,21)
InChIKeyOPYCQEAYDIBYAD-UHFFFAOYSA-N
XLogP4.30
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-3-(4-chlorophenyl)urea
CID 730667
1-(4-Chlorophenyl)-3-phenethylurea
CID 482058
N-benzyl-N'-(4-chlorophenyl)-N-methylurea
CID 730303
3-(4-Chlorophenyl)-1-(4-chlorophenylcarbamoyl)-2-pyrazoline
CID 162606
N,3-Bis(4-chlorophenyl)-4,5-dihydro-4-phenyl-1H-pyrazole-1-carboxamide
CID 173664
1H-Pyrazole-1-carboxamide, 4,5-dihydro-N,3,4-tris(4-chlorophenyl)-
CID 3042082
N-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 2949669
N-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 3670283
N-(4-chlorophenyl)-N'-styrylurea
CID 5524091
N,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide
CID 134133106
2-(4-chlorophenyl)-5-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4H-1,2,4-triazol-3-one
CID 137299385
1-(4-Chlorophenyl)-3-(1-phenylethyl)urea
CID 3124520

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 3835788) is N-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccc(Cl)cc1)N1N=CCC1c1ccccc1.
What is the InChIKey of N-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is OPYCQEAYDIBYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-13-6-8-14(9-7-13)19-16(21)20-15(10-11-18-20)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 3835788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).