3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid

C14H17N3O3 — CID 98019064

IUPAC3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid
SMILESCOc1ccc(C(C)C)cc1-c1[nH]nc(N)c1C(=O)O
InChIInChI=1S/C14H17N3O3/c1-7(2)8-4-5-10(20-3)9(6-8)12-11(14(18)19)13(15)17-16-12/h4-7H,1-3H3,(H,18,19)(H3,15,16,17)
InChIKeyKSDNFDISXSISQI-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.49
Rot. Bonds4

About 3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid

3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 98019064) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid
PubChem CID98019064
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid
SMILESCOc1ccc(C(C)C)cc1-c1[nH]nc(N)c1C(=O)O
InChIInChI=1S/C14H17N3O3/c1-7(2)8-4-5-10(20-3)9(6-8)12-11(14(18)19)13(15)17-16-12/h4-7H,1-3H3,(H,18,19)(H3,15,16,17)
InChIKeyKSDNFDISXSISQI-UHFFFAOYSA-N
XLogP2.49
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid
CID 82489022
6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 82306293
3-amino-5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 98022153
4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid
CID 82302135
(2S)-2-[4-(2-methoxy-5-propan-2-ylphenyl)triazol-1-yl]-3-methylbutanamide
CID 72915347
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 170591096
2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 3441823
6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823436
5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 95474423
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871
4-(difluoromethyl)-2-[5-(difluoromethyl)-2-methoxyphenyl]benzoic acid
CID 177238209
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde
CID 84761434

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid (CID 98019064) is 3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid is COc1ccc(C(C)C)cc1-c1[nH]nc(N)c1C(=O)O.
What is the InChIKey of 3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is KSDNFDISXSISQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-7(2)8-4-5-10(20-3)9(6-8)12-11(14(18)19)13(15)17-16-12/h4-7H,1-3H3,(H,18,19)(H3,15,16,17).
What are the key properties of 3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid?
3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 98019064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).