4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid

C17H23N3O2 — CID 122073068

IUPAC4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid
SMILESCC(C)CC(CNCc1ccc(-n2cccn2)cc1)C(=O)O
InChIInChI=1S/C17H23N3O2/c1-13(2)10-15(17(21)22)12-18-11-14-4-6-16(7-5-14)20-9-3-8-19-20/h3-9,13,15,18H,10-12H2,1-2H3,(H,21,22)
InChIKeyUUEAGLIGXWGIGC-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.71
Rot. Bonds8

About 4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid

4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid (PubChem CID 122073068) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid
PubChem CID122073068
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid
SMILESCC(C)CC(CNCc1ccc(-n2cccn2)cc1)C(=O)O
InChIInChI=1S/C17H23N3O2/c1-13(2)10-15(17(21)22)12-18-11-14-4-6-16(7-5-14)20-9-3-8-19-20/h3-9,13,15,18H,10-12H2,1-2H3,(H,21,22)
InChIKeyUUEAGLIGXWGIGC-UHFFFAOYSA-N
XLogP2.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol
CID 111104760
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
4-methyl-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]pentanoic acid
CID 122073188
2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
CID 75449927
2,2-dimethyl-4-[(4-pyrazol-1-ylphenyl)methylamino]butanoic acid
CID 122126715
2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
CID 119725281
2-[[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid
CID 122073221
4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252819
1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol
CID 86984352
N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine
CID 62635762
3,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 115581160
1-(4-pyrazol-1-ylphenyl)propan-2-ol
CID 83675061

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid (CID 122073068) is 4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid is CC(C)CC(CNCc1ccc(-n2cccn2)cc1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid?
The InChIKey is UUEAGLIGXWGIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(2)10-15(17(21)22)12-18-11-14-4-6-16(7-5-14)20-9-3-8-19-20/h3-9,13,15,18H,10-12H2,1-2H3,(H,21,22).
What are the key properties of 4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid?
4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid has a molecular weight of 301.39 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid is sourced from PubChem (CID 122073068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).