4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid

C13H21N3O3 — CID 110836565

IUPAC4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid
SMILESCc1c(C(=O)N(C)CCCC(=O)O)n[nH]c1C(C)C
InChIInChI=1S/C13H21N3O3/c1-8(2)11-9(3)12(15-14-11)13(19)16(4)7-5-6-10(17)18/h8H,5-7H2,1-4H3,(H,14,15)(H,17,18)
InChIKeyOVUPGAVMJCIOQN-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.78
Rot. Bonds6

About 4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid

4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid (PubChem CID 110836565) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid
PubChem CID110836565
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid
SMILESCc1c(C(=O)N(C)CCCC(=O)O)n[nH]c1C(C)C
InChIInChI=1S/C13H21N3O3/c1-8(2)11-9(3)12(15-14-11)13(19)16(4)7-5-6-10(17)18/h8H,5-7H2,1-4H3,(H,14,15)(H,17,18)
InChIKeyOVUPGAVMJCIOQN-UHFFFAOYSA-N
XLogP1.78
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic 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

3-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 110836568
2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 110836563
4-[methyl-(2,3,4,5,6-pentamethylbenzoyl)amino]butanoic acid
CID 43092358
4-[methyl-(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 119347108
3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 110835367
4-[methyl(1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 43172441
4-[2-methoxypropanoyl(methyl)amino]butanoic acid
CID 115729894
4-[methyl-(2,3,4,5,6-pentafluorobenzoyl)amino]butanoic acid
CID 43403414
4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 63693551
4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081030
4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 111543229
4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid
CID 97323909

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid (CID 110836565) is 4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid is Cc1c(C(=O)N(C)CCCC(=O)O)n[nH]c1C(C)C.
What is the InChIKey of 4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid?
The InChIKey is OVUPGAVMJCIOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(2)11-9(3)12(15-14-11)13(19)16(4)7-5-6-10(17)18/h8H,5-7H2,1-4H3,(H,14,15)(H,17,18).
What are the key properties of 4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid?
4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110836565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).