3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid

C13H15N3O2 — CID 65236429

IUPAC3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid
SMILESCNC(CC(=O)O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H15N3O2/c1-14-12(7-13(17)18)10-8-15-16(9-10)11-5-3-2-4-6-11/h2-6,8-9,12,14H,7H2,1H3,(H,17,18)
InChIKeyQTXMYLDONBIGBU-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.61
Rot. Bonds5

About 3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid

3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid (PubChem CID 65236429) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid
PubChem CID65236429
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid
SMILESCNC(CC(=O)O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H15N3O2/c1-14-12(7-13(17)18)10-8-15-16(9-10)11-5-3-2-4-6-11/h2-6,8-9,12,14H,7H2,1H3,(H,17,18)
InChIKeyQTXMYLDONBIGBU-UHFFFAOYSA-N
XLogP1.61
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic 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

(3S)-3-acetamido-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 63650204
methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate
CID 29059511
methyl 3-amino-3-(1-phenylpyrazol-4-yl)propanoate
CID 43147874
3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486019
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
[3-methylidene-1-(1-phenylpyrazol-4-yl)pentyl]hydrazine
CID 105320295
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105161286
1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486034
3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid
CID 126840528
N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486037

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid (CID 65236429) is 3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid is CNC(CC(=O)O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid?
The InChIKey is QTXMYLDONBIGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-14-12(7-13(17)18)10-8-15-16(9-10)11-5-3-2-4-6-11/h2-6,8-9,12,14H,7H2,1H3,(H,17,18).
What are the key properties of 3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid?
3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid has a molecular weight of 245.28 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 65236429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).