N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide

C13H15N3O — CID 573313

IUPACN-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccn(C)n2)cc1C
InChIInChI=1S/C13H15N3O/c1-9-4-5-11(8-10(9)2)14-13(17)12-6-7-16(3)15-12/h4-8H,1-3H3,(H,14,17)
InChIKeyBXTQYUSYQIDEAL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.29
Rot. Bonds2

About N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide

N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 573313) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID573313
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccn(C)n2)cc1C
InChIInChI=1S/C13H15N3O/c1-9-4-5-11(8-10(9)2)14-13(17)12-6-7-16(3)15-12/h4-8H,1-3H3,(H,14,17)
InChIKeyBXTQYUSYQIDEAL-UHFFFAOYSA-N
XLogP2.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 106509676
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide
CID 103121264
N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 103119634
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 103824695
N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide
CID 103116113
1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
CID 42110934
N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55648066
N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262447
1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 136522811
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440296
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide
CID 35761971

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide (CID 573313) is N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide is Cc1ccc(NC(=O)c2ccn(C)n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is BXTQYUSYQIDEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-4-5-11(8-10(9)2)14-13(17)12-6-7-16(3)15-12/h4-8H,1-3H3,(H,14,17).
What are the key properties of N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 573313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).