3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid

C12H13N3O3 — CID 82086444

IUPAC3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(-c2c(N)n[nH]c2C(=O)O)cc1C
InChIInChI=1S/C12H13N3O3/c1-6-5-7(3-4-8(6)18-2)9-10(12(16)17)14-15-11(9)13/h3-5H,1-2H3,(H,16,17)(H3,13,14,15)
InChIKeyDITDAUNPCXNGFB-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.67
Rot. Bonds3

About 3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid

3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 82086444) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID82086444
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(-c2c(N)n[nH]c2C(=O)O)cc1C
InChIInChI=1S/C12H13N3O3/c1-6-5-7(3-4-8(6)18-2)9-10(12(16)17)14-15-11(9)13/h3-5H,1-2H3,(H,16,17)(H3,13,14,15)
InChIKeyDITDAUNPCXNGFB-UHFFFAOYSA-N
XLogP1.67
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082689
3-amino-4-(2-methoxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82485021
3-amino-4-(2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082687
3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 82486573
3-amino-4-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82478941
4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 22905823
3-amino-4-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82485040
3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82485027
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572
2-(4-methoxy-3-methylphenyl)imidazo[1,5-b]pyridazin-5-amine
CID 82381285
4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921933
3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole
CID 50962372

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid (CID 82086444) is 3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid is COc1ccc(-c2c(N)n[nH]c2C(=O)O)cc1C.
What is the InChIKey of 3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is DITDAUNPCXNGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-6-5-7(3-4-8(6)18-2)9-10(12(16)17)14-15-11(9)13/h3-5H,1-2H3,(H,16,17)(H3,13,14,15).
What are the key properties of 3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid?
3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 82086444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).