3-amino-4-ethoxy-1H-pyrazole-5-carboxylic acid

C6H9N3O3 — CID 151885959

IUPAC3-amino-4-ethoxy-1H-pyrazole-5-carboxylic acid
SMILESCCOc1c(N)n[nH]c1C(=O)O
InChIInChI=1S/C6H9N3O3/c1-2-12-4-3(6(10)11)8-9-5(4)7/h2H2,1H3,(H,10,11)(H3,7,8,9)
InChIKeySPSBTMQKIZNIRQ-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.09
Rot. Bonds3

About 3-amino-4-ethoxy-1H-pyrazole-5-carboxylic acid

3-amino-4-ethoxy-1H-pyrazole-5-carboxylic acid (PubChem CID 151885959) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-amino-4-ethoxy-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-ethoxy-1H-pyrazole-5-carboxylic acid
PubChem CID151885959
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name3-amino-4-ethoxy-1H-pyrazole-5-carboxylic acid
SMILESCCOc1c(N)n[nH]c1C(=O)O
InChIInChI=1S/C6H9N3O3/c1-2-12-4-3(6(10)11)8-9-5(4)7/h2H2,1H3,(H,10,11)(H3,7,8,9)
InChIKeySPSBTMQKIZNIRQ-UHFFFAOYSA-N
XLogP0.09
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-ethoxy-1H-pyrazole-5-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

3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 82486573
3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82485027
3-amino-4-bromo-1H-pyrazole-5-carboxylic acid;hydrobromide
CID 138991095
3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 82479753
3-amino-4-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82478941
3-amino-4-(2-methoxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82485021
3-amino-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082689
ethyl 3,5-diamino-1H-pyrazole-4-carboxylate
CID 4126248
ethyl 3-amino-5-ethyl-1H-pyrazole-4-carboxylate
CID 15186424
ethyl 3-amino-4-cyclobutyl-1H-pyrazole-5-carboxylate
CID 105462820
3-amino-4-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82485040
3-amino-4-(2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082687

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-amino-4-ethoxy-1H-pyrazole-5-carboxylic acid (CID 151885959) is 3-amino-4-ethoxy-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-amino-4-ethoxy-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-amino-4-ethoxy-1H-pyrazole-5-carboxylic acid is CCOc1c(N)n[nH]c1C(=O)O.
What is the InChIKey of 3-amino-4-ethoxy-1H-pyrazole-5-carboxylic acid?
The InChIKey is SPSBTMQKIZNIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-2-12-4-3(6(10)11)8-9-5(4)7/h2H2,1H3,(H,10,11)(H3,7,8,9).
What are the key properties of 3-amino-4-ethoxy-1H-pyrazole-5-carboxylic acid?
3-amino-4-ethoxy-1H-pyrazole-5-carboxylic acid has a molecular weight of 171.16 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 151885959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).