2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid

C12H19N3O3 — CID 119192093

IUPAC2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cc(CC)[nH]n1)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-4-6-12(3,11(17)18)13-10(16)9-7-8(5-2)14-15-9/h7H,4-6H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyVYERBWXKAIYCEL-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.35
Rot. Bonds6

About 2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid

2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid (PubChem CID 119192093) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid
PubChem CID119192093
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cc(CC)[nH]n1)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-4-6-12(3,11(17)18)13-10(16)9-7-8(5-2)14-15-9/h7H,4-6H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyVYERBWXKAIYCEL-UHFFFAOYSA-N
XLogP1.35
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697814
5-ethyl-1H-pyrazole-3-carboxylic acid
CID 4913402
5-ethyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide
CID 146092308
2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid
CID 114035170
2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119192382
2-[(3,5-dihydroxybenzoyl)amino]-2-methylpentanoic acid
CID 107702413
methyl 5-ethyl-1H-pyrazole-3-carboxylate
CID 43428294
5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide
CID 111478104
2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid
CID 43618517
2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 115298445
2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43618915
(2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 97209644

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid (CID 119192093) is 2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1cc(CC)[nH]n1)C(=O)O.
What is the InChIKey of 2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid?
The InChIKey is VYERBWXKAIYCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-6-12(3,11(17)18)13-10(16)9-7-8(5-2)14-15-9/h7H,4-6H2,1-3H3,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid?
2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 119192093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).