1-methyl-4-(4-methylanilino)pyrazole-5-carboxylic acid

C12H13N3O2 — CID 13303042

IUPAC1-methyl-4-(4-methylanilino)pyrazole-5-carboxylic acid
SMILESCc1ccc(Nc2cnn(C)c2C(=O)O)cc1
InChIInChI=1S/C12H13N3O2/c1-8-3-5-9(6-4-8)14-10-7-13-15(2)11(10)12(16)17/h3-7,14H,1-2H3,(H,16,17)
InChIKeyKVHPKBZOWBSDAB-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.17
Rot. Bonds3

About 1-methyl-4-(4-methylanilino)pyrazole-5-carboxylic acid

1-methyl-4-(4-methylanilino)pyrazole-5-carboxylic acid (PubChem CID 13303042) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-methyl-4-(4-methylanilino)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(4-methylanilino)pyrazole-5-carboxylic acid
PubChem CID13303042
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-methyl-4-(4-methylanilino)pyrazole-5-carboxylic acid
SMILESCc1ccc(Nc2cnn(C)c2C(=O)O)cc1
InChIInChI=1S/C12H13N3O2/c1-8-3-5-9(6-4-8)14-10-7-13-15(2)11(10)12(16)17/h3-7,14H,1-2H3,(H,16,17)
InChIKeyKVHPKBZOWBSDAB-UHFFFAOYSA-N
XLogP2.17
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-1H-pyrazole-3,4-dicarboxylic acid
CID 827520
Methyl 1-(2-phenylethyl)-4-(3-phenylpropanamido)-1H-pyrazole-3-carboxylate
CID 25009729
2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid
CID 572920
1H-Pyrazole-4-carboxylic acid, 5-(aminocarbonyl)-1-(4-methylphenyl)-
CID 163716
1H-Pyrazole-4-carboxylic acid, 5-(aminocarbonyl)-1-(3-methylphenyl)-
CID 163717
1H-Pyrazole-4-carboxylic acid, 5-(aminocarbonyl)-1-(3,4-dimethylphenyl)-
CID 163719
3-(1-methyl-1H-pyrazole-3-amido)benzoic acid
CID 727174
1-benzyl-1H-pyrazole-3-carboxylic acid
CID 22143978
4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 22267974
3-Pyrazolecarboxylic acid, 4-amino-1-methyl-5-phenyl-
CID 3021893
5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-
CID 3021894
5-methyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid
CID 2769583

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylanilino)pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-4-(4-methylanilino)pyrazole-5-carboxylic acid (CID 13303042) is 1-methyl-4-(4-methylanilino)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(4-methylanilino)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-(4-methylanilino)pyrazole-5-carboxylic acid is Cc1ccc(Nc2cnn(C)c2C(=O)O)cc1.
What is the InChIKey of 1-methyl-4-(4-methylanilino)pyrazole-5-carboxylic acid?
The InChIKey is KVHPKBZOWBSDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-3-5-9(6-4-8)14-10-7-13-15(2)11(10)12(16)17/h3-7,14H,1-2H3,(H,16,17).
What are the key properties of 1-methyl-4-(4-methylanilino)pyrazole-5-carboxylic acid?
1-methyl-4-(4-methylanilino)pyrazole-5-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylanilino)pyrazole-5-carboxylic acid is sourced from PubChem (CID 13303042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).