4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid

C18H23N3O3 — CID 120528638

IUPAC4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)c1cnn(C)c1-c1ccccc1)C(=O)O
InChIInChI=1S/C18H23N3O3/c1-12(2)9-14(18(23)24)10-19-17(22)15-11-20-21(3)16(15)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyVYHCFAVJKODMNX-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.56
Rot. Bonds7

About 4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid

4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid (PubChem CID 120528638) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid
PubChem CID120528638
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)c1cnn(C)c1-c1ccccc1)C(=O)O
InChIInChI=1S/C18H23N3O3/c1-12(2)9-14(18(23)24)10-19-17(22)15-11-20-21(3)16(15)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyVYHCFAVJKODMNX-UHFFFAOYSA-N
XLogP2.56
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]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

2,2-dimethyl-3-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120528001
2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119253441
N,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide
CID 97334506
2-[[(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 120528510
2-[[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119252730
2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 120528568
2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 122108013
4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid
CID 120528619
3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525069
2-[[(2,6-dimethylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103925730
2-[[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253710
4-methyl-2-[[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]pentanoic acid
CID 120528438

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid (CID 120528638) is 4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid is CC(C)CC(CNC(=O)c1cnn(C)c1-c1ccccc1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is VYHCFAVJKODMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)9-14(18(23)24)10-19-17(22)15-11-20-21(3)16(15)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,19,22)(H,23,24).
What are the key properties of 4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid?
4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 120528638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).