(2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid

C12H19N3O3 — CID 66120326

IUPAC(2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid
SMILESCCc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)n(C)n1
InChIInChI=1S/C12H19N3O3/c1-5-8-6-9(15(4)14-8)11(16)13-10(7(2)3)12(17)18/h6-7,10H,5H2,1-4H3,(H,13,16)(H,17,18)/t10-/m1/s1
InChIKeyWCYUIYZAVOIHOX-SNVBAGLBSA-N
MW253.30 g/mol
LogP0.82
Rot. Bonds5

About (2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid

(2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 66120326) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid
PubChem CID66120326
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name(2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid
SMILESCCc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)n(C)n1
InChIInChI=1S/C12H19N3O3/c1-5-8-6-9(15(4)14-8)11(16)13-10(7(2)3)12(17)18/h6-7,10H,5H2,1-4H3,(H,13,16)(H,17,18)/t10-/m1/s1
InChIKeyWCYUIYZAVOIHOX-SNVBAGLBSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 77113214
N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120728
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114308825
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 102810054
N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121687
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 105119427
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
(2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964855
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 98078726
N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide
CID 79193800

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid (CID 66120326) is (2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid is CCc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)n(C)n1.
What is the InChIKey of (2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is WCYUIYZAVOIHOX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-8-6-9(15(4)14-8)11(16)13-10(7(2)3)12(17)18/h6-7,10H,5H2,1-4H3,(H,13,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 253.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 66120326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).