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

C10H15N3O3 — CID 65218133

IUPAC2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1cn[nH]c1C)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-7(10(15)16)4-11-9(14)8-5-12-13-6(8)2/h5,7H,3-4H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyAAZGVZIRDIDRQX-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.56
Rot. Bonds5

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

2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid (PubChem CID 65218133) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid
PubChem CID65218133
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1cn[nH]c1C)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-7(10(15)16)4-11-9(14)8-5-12-13-6(8)2/h5,7H,3-4H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyAAZGVZIRDIDRQX-UHFFFAOYSA-N
XLogP0.56
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 79080022
5-methyl-N-pentan-3-yl-1H-pyrazole-4-carboxamide
CID 63996997
N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 102700145
methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 103958201
N-(2-chloro-2-phenylethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 113271434
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107300381
N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114315935
2-[[(2-methylbenzoyl)amino]methyl]butanoic acid
CID 65220541
2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid
CID 65217615
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103843692
N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65110977
2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 66174183

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid (CID 65218133) is 2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid is CCC(CNC(=O)c1cn[nH]c1C)C(=O)O.
What is the InChIKey of 2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid?
The InChIKey is AAZGVZIRDIDRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-7(10(15)16)4-11-9(14)8-5-12-13-6(8)2/h5,7H,3-4H2,1-2H3,(H,11,14)(H,12,13)(H,15,16).
What are the key properties of 2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid?
2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65218133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).