N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide

C18H16Cl2N4O — CID 1473146

IUPACN-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide
SMILESCN(C)c1nn(C(=O)Nc2ccc(Cl)cc2Cl)cc1-c1ccccc1
InChIInChI=1S/C18H16Cl2N4O/c1-23(2)17-14(12-6-4-3-5-7-12)11-24(22-17)18(25)21-16-9-8-13(19)10-15(16)20/h3-11H,1-2H3,(H,21,25)
InChIKeyNKZPVSIXWWTSJV-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.00
Rot. Bonds3

About N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide

N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide (PubChem CID 1473146) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide
PubChem CID1473146
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC NameN-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide
SMILESCN(C)c1nn(C(=O)Nc2ccc(Cl)cc2Cl)cc1-c1ccccc1
InChIInChI=1S/C18H16Cl2N4O/c1-23(2)17-14(12-6-4-3-5-7-12)11-24(22-17)18(25)21-16-9-8-13(19)10-15(16)20/h3-11H,1-2H3,(H,21,25)
InChIKeyNKZPVSIXWWTSJV-UHFFFAOYSA-N
XLogP5.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-Dichlorophenyl)-3-(1-methyl-3-pyrazolyl)urea
CID 970792
3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-1-carboxamide
CID 1473148
N-(2-chlorophenyl)-N'-{1-[1-(1,4-dimethyl-4-penten-1-yl)-4-piperidinyl]-1H-pyrazol-5-yl}urea
CID 45244326
N-(2-chlorophenyl)-N'-{1-[1-(1,3-dimethylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}urea
CID 45252754
US11116757, No. A153
CID 126711451
5-benzhydryl-N-(4-chlorophenyl)pyrazole-1-carboxamide
CID 2806041
N-(2-chlorophenyl)-N'-{1-[1-(4-fluorobenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}urea
CID 42305157
1-[2-(3-Chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea
CID 102558029
N,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 71682989
N,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-3-amine
CID 89768934
N-(4-Chlorophenyl)-6-(2,6-dimethylphenyl)-5,6-dihydropyrrolo[2,3-c]pyrazole-1(4H)-carboxamide
CID 611555
N-[4-bromo-1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-N'-(3-methylphenyl)urea
CID 1223851

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide (CID 1473146) is N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide is CN(C)c1nn(C(=O)Nc2ccc(Cl)cc2Cl)cc1-c1ccccc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide?
The InChIKey is NKZPVSIXWWTSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-23(2)17-14(12-6-4-3-5-7-12)11-24(22-17)18(25)21-16-9-8-13(19)10-15(16)20/h3-11H,1-2H3,(H,21,25).
What are the key properties of N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide?
N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide has a molecular weight of 375.26 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 1473146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).