3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

C14H15N3O3 — CID 19496533

IUPAC3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCc1cccc(C)c1NC(=O)c1nn(C)cc1C(=O)O
InChIInChI=1S/C14H15N3O3/c1-8-5-4-6-9(2)11(8)15-13(18)12-10(14(19)20)7-17(3)16-12/h4-7H,1-3H3,(H,15,18)(H,19,20)
InChIKeyGQASFIOGQPJOPU-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.99
Rot. Bonds3

About 3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 19496533) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID19496533
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCc1cccc(C)c1NC(=O)c1nn(C)cc1C(=O)O
InChIInChI=1S/C14H15N3O3/c1-8-5-4-6-9(2)11(8)15-13(18)12-10(14(19)20)7-17(3)16-12/h4-7H,1-3H3,(H,15,18)(H,19,20)
InChIKeyGQASFIOGQPJOPU-UHFFFAOYSA-N
XLogP1.99
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chloro-4-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498199
3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid
CID 25252406
4-[(2,6-dichlorophenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498506
3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095890
1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid
CID 19496540
4-amino-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 65355014
3-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498375
1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095797
N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262447
3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62340624
1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097610

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 19496533) is 3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is Cc1cccc(C)c1NC(=O)c1nn(C)cc1C(=O)O.
What is the InChIKey of 3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is GQASFIOGQPJOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-5-4-6-9(2)11(8)15-13(18)12-10(14(19)20)7-17(3)16-12/h4-7H,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19496533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).