4-chloro-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide

C12H12ClN3O — CID 1479659

IUPAC4-chloro-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1c(Cl)cnn1-c1ccc(C)cc1
InChIInChI=1S/C12H12ClN3O/c1-8-3-5-9(6-4-8)16-11(12(17)14-2)10(13)7-15-16/h3-7H,1-2H3,(H,14,17)
InChIKeyXBBGBDXUTAKEMG-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.19
Rot. Bonds2

About 4-chloro-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide

4-chloro-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide (PubChem CID 1479659) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-chloro-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide
PubChem CID1479659
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-chloro-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1c(Cl)cnn1-c1ccc(C)cc1
InChIInChI=1S/C12H12ClN3O/c1-8-3-5-9(6-4-8)16-11(12(17)14-2)10(13)7-15-16/h3-7H,1-2H3,(H,14,17)
InChIKeyXBBGBDXUTAKEMG-UHFFFAOYSA-N
XLogP2.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide (CID 1479659) is 4-chloro-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide is CNC(=O)c1c(Cl)cnn1-c1ccc(C)cc1.
What is the InChIKey of 4-chloro-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is XBBGBDXUTAKEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8-3-5-9(6-4-8)16-11(12(17)14-2)10(13)7-15-16/h3-7H,1-2H3,(H,14,17).
What are the key properties of 4-chloro-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide?
4-chloro-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 1479659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).