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

C13H21N3O3 — CID 110836568

IUPAC3-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid
SMILESCc1c(C(=O)N(C)C(C)CC(=O)O)n[nH]c1C(C)C
InChIInChI=1S/C13H21N3O3/c1-7(2)11-9(4)12(15-14-11)13(19)16(5)8(3)6-10(17)18/h7-8H,6H2,1-5H3,(H,14,15)(H,17,18)
InChIKeyGKMNDGHVYNWFAN-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.78
Rot. Bonds5

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

3-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid (PubChem CID 110836568) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid
PubChem CID110836568
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid
SMILESCc1c(C(=O)N(C)C(C)CC(=O)O)n[nH]c1C(C)C
InChIInChI=1S/C13H21N3O3/c1-7(2)11-9(4)12(15-14-11)13(19)16(5)8(3)6-10(17)18/h7-8H,6H2,1-5H3,(H,14,15)(H,17,18)
InChIKeyGKMNDGHVYNWFAN-UHFFFAOYSA-N
XLogP1.78
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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 3-[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

2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 110836563
4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 110836565
3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 110836550
4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62075243
2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)-methylamino]-4-methylpentanoic acid
CID 110835312
(3S)-3-[benzoyl(methyl)amino]butanoic acid
CID 98014257
N-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 110833964
N,4-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 138016844
3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 110836444
3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid
CID 110836290
3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid
CID 110836400
3-[butan-2-yl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65371867

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid (CID 110836568) is 3-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid is Cc1c(C(=O)N(C)C(C)CC(=O)O)n[nH]c1C(C)C.
What is the InChIKey of 3-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid?
The InChIKey is GKMNDGHVYNWFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-7(2)11-9(4)12(15-14-11)13(19)16(5)8(3)6-10(17)18/h7-8H,6H2,1-5H3,(H,14,15)(H,17,18).
What are the key properties of 3-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid?
3-[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, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110836568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).