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

C16H14ClN3O — CID 3670283

IUPACN-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1N=CCC1c1ccccc1
InChIInChI=1S/C16H14ClN3O/c17-13-7-4-8-14(11-13)19-16(21)20-15(9-10-18-20)12-5-2-1-3-6-12/h1-8,10-11,15H,9H2,(H,19,21)
InChIKeyYFYUTSZMMSKXMW-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.30
Rot. Bonds2

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

N-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 3670283) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID3670283
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1N=CCC1c1ccccc1
InChIInChI=1S/C16H14ClN3O/c17-13-7-4-8-14(11-13)19-16(21)20-15(9-10-18-20)12-5-2-1-3-6-12/h1-8,10-11,15H,9H2,(H,19,21)
InChIKeyYFYUTSZMMSKXMW-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 3670283) is N-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1cccc(Cl)c1)N1N=CCC1c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is YFYUTSZMMSKXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-13-7-4-8-14(11-13)19-16(21)20-15(9-10-18-20)12-5-2-1-3-6-12/h1-8,10-11,15H,9H2,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-(3-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-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 3670283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).