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

C16H13Cl2N3O — CID 2949619

IUPACN-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1N=CCC1c1ccccc1
InChIInChI=1S/C16H13Cl2N3O/c17-13-7-6-12(10-14(13)18)20-16(22)21-15(8-9-19-21)11-4-2-1-3-5-11/h1-7,9-10,15H,8H2,(H,20,22)
InChIKeyZJIWKFBALDEBDW-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.96
Rot. Bonds2

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

N-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 2949619) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID2949619
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1N=CCC1c1ccccc1
InChIInChI=1S/C16H13Cl2N3O/c17-13-7-6-12(10-14(13)18)20-16(22)21-15(8-9-19-21)11-4-2-1-3-5-11/h1-7,9-10,15H,8H2,(H,20,22)
InChIKeyZJIWKFBALDEBDW-UHFFFAOYSA-N
XLogP4.96
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 2949619) is N-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1N=CCC1c1ccccc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is ZJIWKFBALDEBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c17-13-7-6-12(10-14(13)18)20-16(22)21-15(8-9-19-21)11-4-2-1-3-5-11/h1-7,9-10,15H,8H2,(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 334.21 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 2949619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).