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

C11H17N3O3 — CID 79806199

IUPAC2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)c1cn[nH]c1C)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-4-11(5-2,10(16)17)13-9(15)8-6-12-14-7(8)3/h6H,4-5H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeySEGPYGJNVBOXRQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.09
Rot. Bonds5

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

2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid (PubChem CID 79806199) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
PubChem CID79806199
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)c1cn[nH]c1C)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-4-11(5-2,10(16)17)13-9(15)8-6-12-14-7(8)3/h6H,4-5H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeySEGPYGJNVBOXRQ-UHFFFAOYSA-N
XLogP1.09
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(chloromethyl)pentan-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 114304671
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid
CID 79806439
2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 66174183
5-methyl-N-pentan-3-yl-1H-pyrazole-4-carboxamide
CID 63996997
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103843692
N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 79080022
N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65110977
2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid
CID 114037008
2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid
CID 102921592
2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid
CID 65218133
2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 104669831
N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103712960

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid (CID 79806199) is 2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid is CCC(CC)(NC(=O)c1cn[nH]c1C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid?
The InChIKey is SEGPYGJNVBOXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-11(5-2,10(16)17)13-9(15)8-6-12-14-7(8)3/h6H,4-5H2,1-3H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid?
2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79806199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).