4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid

C11H17N3O4 — CID 103153138

IUPAC4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)c1c(C)n[nH]c1C)CC(=O)O
InChIInChI=1S/C11H17N3O4/c1-6-10(7(2)14-13-6)11(17)12-5-8(18-3)4-9(15)16/h8H,4-5H2,1-3H3,(H,12,17)(H,13,14)(H,15,16)
InChIKeyVFEMXKQRQUJINB-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.25
Rot. Bonds6

About 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid

4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid (PubChem CID 103153138) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid
PubChem CID103153138
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)c1c(C)n[nH]c1C)CC(=O)O
InChIInChI=1S/C11H17N3O4/c1-6-10(7(2)14-13-6)11(17)12-5-8(18-3)4-9(15)16/h8H,4-5H2,1-3H3,(H,12,17)(H,13,14)(H,15,16)
InChIKeyVFEMXKQRQUJINB-UHFFFAOYSA-N
XLogP0.25
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic 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-methoxy-4-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 103152362
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62675345
N-(2,2-diethoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79547804
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 43583226
3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 62691865
3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
CID 103153260
N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 115664893
4-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-3-methoxybutanoic acid
CID 103152929
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
3-methoxy-4-[(2,4,6-trifluorobenzoyl)amino]butanoic acid
CID 103153081
4-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methoxybutanoic acid
CID 103153142
N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 111107196

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid (CID 103153138) is 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid is COC(CNC(=O)c1c(C)n[nH]c1C)CC(=O)O.
What is the InChIKey of 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid?
The InChIKey is VFEMXKQRQUJINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6-10(7(2)14-13-6)11(17)12-5-8(18-3)4-9(15)16/h8H,4-5H2,1-3H3,(H,12,17)(H,13,14)(H,15,16).
What are the key properties of 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid?
4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid has a molecular weight of 255.27 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103153138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).