N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide

C13H15N3O — CID 19262447

IUPACN-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccn(C)n1
InChIInChI=1S/C13H15N3O/c1-9-5-4-6-10(2)12(9)14-13(17)11-7-8-16(3)15-11/h4-8H,1-3H3,(H,14,17)
InChIKeyWMPIMCRHBRXVGU-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.29
Rot. Bonds2

About N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide

N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 19262447) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID19262447
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccn(C)n1
InChIInChI=1S/C13H15N3O/c1-9-5-4-6-10(2)12(9)14-13(17)11-7-8-16(3)15-11/h4-8H,1-3H3,(H,14,17)
InChIKeyWMPIMCRHBRXVGU-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-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide
CID 42110981
N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 106509676
1-[(3,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide
CID 19276149
6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558422
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 71938716
5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 112520643
3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 103116399
3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496533
N-(2,6-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4864754
1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide
CID 19272772
N-(1-ethyl-5-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 19262605

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide (CID 19262447) is N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide is Cc1cccc(C)c1NC(=O)c1ccn(C)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is WMPIMCRHBRXVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-5-4-6-10(2)12(9)14-13(17)11-7-8-16(3)15-11/h4-8H,1-3H3,(H,14,17).
What are the key properties of N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
N-(2,6-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-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19262447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).