2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid

C14H23N3O2 — CID 106487284

IUPAC2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid
SMILESCC(CN)(Cc1ccn(C2CCCCC2)n1)C(=O)O
InChIInChI=1S/C14H23N3O2/c1-14(10-15,13(18)19)9-11-7-8-17(16-11)12-5-3-2-4-6-12/h7-8,12H,2-6,9-10,15H2,1H3,(H,18,19)
InChIKeyWLPDEQKAPIFXMP-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.98
Rot. Bonds5

About 2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid

2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid (PubChem CID 106487284) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid
PubChem CID106487284
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid
SMILESCC(CN)(Cc1ccn(C2CCCCC2)n1)C(=O)O
InChIInChI=1S/C14H23N3O2/c1-14(10-15,13(18)19)9-11-7-8-17(16-11)12-5-3-2-4-6-12/h7-8,12H,2-6,9-10,15H2,1H3,(H,18,19)
InChIKeyWLPDEQKAPIFXMP-UHFFFAOYSA-N
XLogP1.98
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic 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-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid
CID 106487455
2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid
CID 106489091
2-amino-2-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 64776979
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine
CID 64779672
6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one
CID 64777572
3-(3-bromo-2,2-dimethylpropyl)-1-cyclohexylpyrazole
CID 66050139
2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile
CID 65377026
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol
CID 64784256
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide
CID 64800668
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid (CID 106487284) is 2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid is CC(CN)(Cc1ccn(C2CCCCC2)n1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid?
The InChIKey is WLPDEQKAPIFXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(10-15,13(18)19)9-11-7-8-17(16-11)12-5-3-2-4-6-12/h7-8,12H,2-6,9-10,15H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid?
2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid has a molecular weight of 265.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 106487284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).