4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid

C9H13N3O3 — CID 43565635

IUPAC4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cn[nH]c1
InChIInChI=1S/C9H13N3O3/c1-12(4-2-3-8(13)14)9(15)7-5-10-11-6-7/h5-6H,2-4H2,1H3,(H,10,11)(H,13,14)
InChIKeyUQLAJKXQYNBHNI-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.35
Rot. Bonds5

About 4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid

4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid (PubChem CID 43565635) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid
PubChem CID43565635
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cn[nH]c1
InChIInChI=1S/C9H13N3O3/c1-12(4-2-3-8(13)14)9(15)7-5-10-11-6-7/h5-6H,2-4H2,1H3,(H,10,11)(H,13,14)
InChIKeyUQLAJKXQYNBHNI-UHFFFAOYSA-N
XLogP0.35
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[methyl(1H-pyrazole-4-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

N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 63701216
N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 107205772
N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide
CID 60959519
4-[(4-acetylbenzoyl)-methylamino]butanoic acid
CID 119172709
4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid
CID 119173115
3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 110835054
4-[(5,6-dichloropyridine-3-carbonyl)-methylamino]butanoic acid
CID 43240294
4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119346931
N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide
CID 102978931
4-[methyl(1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 43172441
4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
CID 43090429
N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
CID 43533016

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid (CID 43565635) is 4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)c1cn[nH]c1.
What is the InChIKey of 4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid?
The InChIKey is UQLAJKXQYNBHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-12(4-2-3-8(13)14)9(15)7-5-10-11-6-7/h5-6H,2-4H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid?
4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43565635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).