2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid

C15H19N3O2 — CID 62820545

IUPAC2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(C)(C)C(=O)O
InChIInChI=1S/C15H19N3O2/c1-15(2,14(19)20)17(3)11-12-5-7-13(8-6-12)18-10-4-9-16-18/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyRNXINKMAFVJMTP-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.17
Rot. Bonds5

About 2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid

2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid (PubChem CID 62820545) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
PubChem CID62820545
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(C)(C)C(=O)O
InChIInChI=1S/C15H19N3O2/c1-15(2,14(19)20)17(3)11-12-5-7-13(8-6-12)18-10-4-9-16-18/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyRNXINKMAFVJMTP-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]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

2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid
CID 119200590
3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 61010480
2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid
CID 61006750
2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid
CID 131962236
N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide
CID 70746658
2,2-dimethyl-4-[(4-pyrazol-1-ylphenyl)methylamino]butanoic acid
CID 122126715
1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 19477921
2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 70786327
(2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
CID 154894262
N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide
CID 78811414
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 75504441
3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 60840230

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid (CID 62820545) is 2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid is CN(Cc1ccc(-n2cccn2)cc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid?
The InChIKey is RNXINKMAFVJMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,14(19)20)17(3)11-12-5-7-13(8-6-12)18-10-4-9-16-18/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid?
2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid has a molecular weight of 273.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid is sourced from PubChem (CID 62820545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).