2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid

C18H23N3O3 — CID 120525159

IUPAC2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1c(C(=O)NCC(Cc2ccccc2)C(=O)O)cnn1C(C)C
InChIInChI=1S/C18H23N3O3/c1-12(2)21-13(3)16(11-20-21)17(22)19-10-15(18(23)24)9-14-7-5-4-6-8-14/h4-8,11-12,15H,9-10H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyCOLJQAYMLSZPOG-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.45
Rot. Bonds7

About 2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid

2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 120525159) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID120525159
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1c(C(=O)NCC(Cc2ccccc2)C(=O)O)cnn1C(C)C
InChIInChI=1S/C18H23N3O3/c1-12(2)21-13(3)16(11-20-21)17(22)19-10-15(18(23)24)9-14-7-5-4-6-8-14/h4-8,11-12,15H,9-10H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyCOLJQAYMLSZPOG-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)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-[[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 120527157
2-[(2-methoxyphenyl)methyl]-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120533150
2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525129
2-benzyl-3-[(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119233443
2-benzyl-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid
CID 120525121
2-benzyl-3-[(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 120525091
2-benzyl-3-[(2,4-dimethylbenzoyl)amino]propanoic acid
CID 119233647
2-benzyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 119233638
2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 119234039
2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525842
2-benzyl-3-[(2-propan-2-ylsulfonylbenzoyl)amino]propanoic acid
CID 119233678
1-[3-[[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]methyl]phenyl]pyrazole-3-carboxylic acid
CID 120629373

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid (CID 120525159) is 2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid is Cc1c(C(=O)NCC(Cc2ccccc2)C(=O)O)cnn1C(C)C.
What is the InChIKey of 2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is COLJQAYMLSZPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)21-13(3)16(11-20-21)17(22)19-10-15(18(23)24)9-14-7-5-4-6-8-14/h4-8,11-12,15H,9-10H2,1-3H3,(H,19,22)(H,23,24).
What are the key properties of 2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120525159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).