4-(cyclobutylamino)-1-ethylpyrazole-3-carboxylic acid

C10H15N3O2 — CID 167919630

IUPAC4-(cyclobutylamino)-1-ethylpyrazole-3-carboxylic acid
SMILESCCn1cc(NC2CCC2)c(C(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-2-13-6-8(9(12-13)10(14)15)11-7-4-3-5-7/h6-7,11H,2-5H2,1H3,(H,14,15)
InChIKeyHPQWOABSQNSPJR-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.57
Rot. Bonds4

About 4-(cyclobutylamino)-1-ethylpyrazole-3-carboxylic acid

4-(cyclobutylamino)-1-ethylpyrazole-3-carboxylic acid (PubChem CID 167919630) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(cyclobutylamino)-1-ethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(cyclobutylamino)-1-ethylpyrazole-3-carboxylic acid
PubChem CID167919630
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(cyclobutylamino)-1-ethylpyrazole-3-carboxylic acid
SMILESCCn1cc(NC2CCC2)c(C(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-2-13-6-8(9(12-13)10(14)15)11-7-4-3-5-7/h6-7,11H,2-5H2,1H3,(H,14,15)
InChIKeyHPQWOABSQNSPJR-UHFFFAOYSA-N
XLogP1.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(cyclobutylamino)-1-ethylpyrazole-3-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

N-cyclopentyl-1,3-diethylpyrazol-4-amine
CID 69088847
4-[(4,4-difluoropiperidine-1-carbonyl)amino]-1-ethylpyrazole-3-carboxylic acid
CID 166301814
(2R,3S)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 40619006
(2S,3S)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 40619004
trans-(1S,2S)-2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 51851333
(1S,2S,3R,4S)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98293473
2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485722
(1R,2S,3S,4S)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51423416
(1S,2S,3S,4R)-3-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 40619020
4-[(4-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-1-ethylpyrazole-3-carboxylic acid
CID 166301805
1-ethyl-4-[(2-fluorophenyl)methylamino]pyrazole-3-carboxylic acid
CID 19624811
4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410874

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylamino)-1-ethylpyrazole-3-carboxylic acid?
The IUPAC name of 4-(cyclobutylamino)-1-ethylpyrazole-3-carboxylic acid (CID 167919630) is 4-(cyclobutylamino)-1-ethylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(cyclobutylamino)-1-ethylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-(cyclobutylamino)-1-ethylpyrazole-3-carboxylic acid is CCn1cc(NC2CCC2)c(C(=O)O)n1.
What is the InChIKey of 4-(cyclobutylamino)-1-ethylpyrazole-3-carboxylic acid?
The InChIKey is HPQWOABSQNSPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-13-6-8(9(12-13)10(14)15)11-7-4-3-5-7/h6-7,11H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-(cyclobutylamino)-1-ethylpyrazole-3-carboxylic acid?
4-(cyclobutylamino)-1-ethylpyrazole-3-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylamino)-1-ethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 167919630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).