2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid

C12H19N3O3 — CID 79806439

IUPAC2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)c1cnn(C)c1C)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-5-12(6-2,11(17)18)14-10(16)9-7-13-15(4)8(9)3/h7H,5-6H2,1-4H3,(H,14,16)(H,17,18)
InChIKeySEULZNIAJJRHBD-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.10
Rot. Bonds5

About 2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid

2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid (PubChem CID 79806439) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid
PubChem CID79806439
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)c1cnn(C)c1C)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-5-12(6-2,11(17)18)14-10(16)9-7-13-15(4)8(9)3/h7H,5-6H2,1-4H3,(H,14,16)(H,17,18)
InChIKeySEULZNIAJJRHBD-UHFFFAOYSA-N
XLogP1.10
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119570951
2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 79806199
1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide
CID 64991676
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid
CID 114037008
(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833340
2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid
CID 102921592
N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 43419111
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 80717583
N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 66171165
6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65284540
(2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 28777199

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid (CID 79806439) is 2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)c1cnn(C)c1C)C(=O)O.
What is the InChIKey of 2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid?
The InChIKey is SEULZNIAJJRHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-12(6-2,11(17)18)14-10(16)9-7-13-15(4)8(9)3/h7H,5-6H2,1-4H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid?
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79806439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).