N,2-bis(4-chlorophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxamide

C17H12Cl2N4O — CID 5063416

IUPACN,2-bis(4-chlorophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxamide
SMILESN#CC1CC(C(=O)Nc2ccc(Cl)cc2)=NN1c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N4O/c18-11-1-5-13(6-2-11)21-17(24)16-9-15(10-20)23(22-16)14-7-3-12(19)4-8-14/h1-8,15H,9H2,(H,21,24)
InChIKeyVXIWLXBWAUUOCH-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.09
Rot. Bonds3

About N,2-bis(4-chlorophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxamide

N,2-bis(4-chlorophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxamide (PubChem CID 5063416) has the molecular formula C17H12Cl2N4O and a molecular weight of 359.22 g/mol. Its IUPAC name is N,2-bis(4-chlorophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN,2-bis(4-chlorophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxamide
PubChem CID5063416
Molecular FormulaC17H12Cl2N4O
Molecular Weight359.22 g/mol
Exact Mass358.04
IUPAC NameN,2-bis(4-chlorophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxamide
SMILESN#CC1CC(C(=O)Nc2ccc(Cl)cc2)=NN1c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N4O/c18-11-1-5-13(6-2-11)21-17(24)16-9-15(10-20)23(22-16)14-7-3-12(19)4-8-14/h1-8,15H,9H2,(H,21,24)
InChIKeyVXIWLXBWAUUOCH-UHFFFAOYSA-N
XLogP4.09
TPSA68.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-bis(4-chlorophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N,2-bis(4-chlorophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxamide (CID 5063416) is N,2-bis(4-chlorophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N,2-bis(4-chlorophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N,2-bis(4-chlorophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxamide is N#CC1CC(C(=O)Nc2ccc(Cl)cc2)=NN1c1ccc(Cl)cc1.
What is the InChIKey of N,2-bis(4-chlorophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is VXIWLXBWAUUOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O/c18-11-1-5-13(6-2-11)21-17(24)16-9-15(10-20)23(22-16)14-7-3-12(19)4-8-14/h1-8,15H,9H2,(H,21,24).
What are the key properties of N,2-bis(4-chlorophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxamide?
N,2-bis(4-chlorophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 359.22 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(4-chlorophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 5063416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).