3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

C12H13N3O — CID 91675755

IUPAC3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1cc(C(N)=O)c(C)n1
InChIInChI=1S/C12H13N3O/c1-8-5-3-4-6-11(8)15-7-10(12(13)16)9(2)14-15/h3-7H,1-2H3,(H2,13,16)
InChIKeyKYDMJZVYVMDEAO-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.59
Rot. Bonds2

About 3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 91675755) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID91675755
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1cc(C(N)=O)c(C)n1
InChIInChI=1S/C12H13N3O/c1-8-5-3-4-6-11(8)15-7-10(12(13)16)9(2)14-15/h3-7H,1-2H3,(H2,13,16)
InChIKeyKYDMJZVYVMDEAO-UHFFFAOYSA-N
XLogP1.59
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 91675755) is 3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is Cc1ccccc1-n1cc(C(N)=O)c(C)n1.
What is the InChIKey of 3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is KYDMJZVYVMDEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-5-3-4-6-11(8)15-7-10(12(13)16)9(2)14-15/h3-7H,1-2H3,(H2,13,16).
What are the key properties of 3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 91675755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).