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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Related Compounds

CID 162606
CID 162606
CID 173664
CID 173664
CID 3042082
CID 3042082
CID 742650
CID 742650
CID 853757
CID 853757
CID 307049
CID 307049
CID 969798
CID 969798
CID 2949669
CID 2949669
CID 3670283
CID 3670283
CID 3835788
CID 3835788
CID 2951131
CID 2951131
CID 5332259
CID 5332259

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).