1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide

C16H16ClN5O — CID 46412300

IUPAC1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)n(C)n1
InChIInChI=1S/C16H16ClN5O/c1-10-7-15(21(3)20-10)19-16(23)14-9-18-22(11(14)2)13-6-4-5-12(17)8-13/h4-9H,1-3H3,(H,19,23)
InChIKeyJPROKCZIRWMVTK-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.13
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide

1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide (PubChem CID 46412300) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide
PubChem CID46412300
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)n(C)n1
InChIInChI=1S/C16H16ClN5O/c1-10-7-15(21(3)20-10)19-16(23)14-9-18-22(11(14)2)13-6-4-5-12(17)8-13/h4-9H,1-3H3,(H,19,23)
InChIKeyJPROKCZIRWMVTK-UHFFFAOYSA-N
XLogP3.13
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
1-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylurea
CID 86835858
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide
CID 78855753
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 55905390
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]butanoic acid
CID 119223906
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylbutanoic acid
CID 119199529
N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 119997822
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 55378047

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide (CID 46412300) is 1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide is Cc1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)n(C)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide?
The InChIKey is JPROKCZIRWMVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-10-7-15(21(3)20-10)19-16(23)14-9-18-22(11(14)2)13-6-4-5-12(17)8-13/h4-9H,1-3H3,(H,19,23).
What are the key properties of 1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 46412300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).