1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one

C11H18N2O — CID 105119427

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one
SMILESCCc1cc(C(=O)C(C)CC)n(C)n1
InChIInChI=1S/C11H18N2O/c1-5-8(3)11(14)10-7-9(6-2)12-13(10)4/h7-8H,5-6H2,1-4H3
InChIKeyUCGZRDFXYLXMBI-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.21
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one

1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one (PubChem CID 105119427) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one
PubChem CID105119427
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one
SMILESCCc1cc(C(=O)C(C)CC)n(C)n1
InChIInChI=1S/C11H18N2O/c1-5-8(3)11(14)10-7-9(6-2)12-13(10)4/h7-8H,5-6H2,1-4H3
InChIKeyUCGZRDFXYLXMBI-UHFFFAOYSA-N
XLogP2.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114308825
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one
CID 107891320
N-(2-bromoethyl)-3-ethyl-1-methyl-N-pentan-3-ylpyrazole-5-carboxamide
CID 80670629
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 66120317
3-ethyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66121727
(2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 66120326
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105105447
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone
CID 105115019

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one (CID 105119427) is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one is CCc1cc(C(=O)C(C)CC)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one?
The InChIKey is UCGZRDFXYLXMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-8(3)11(14)10-7-9(6-2)12-13(10)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one?
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one has a molecular weight of 194.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one is sourced from PubChem (CID 105119427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).