1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone

C11H18N2O — CID 61271115

IUPAC1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
SMILESCCC(CC)n1ncc(C(C)=O)c1C
InChIInChI=1S/C11H18N2O/c1-5-10(6-2)13-8(3)11(7-12-13)9(4)14/h7,10H,5-6H2,1-4H3
InChIKeyDKJMWSVQGXHNEV-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.76
Rot. Bonds4

About 1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone

1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone (PubChem CID 61271115) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
PubChem CID61271115
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
SMILESCCC(CC)n1ncc(C(C)=O)c1C
InChIInChI=1S/C11H18N2O/c1-5-10(6-2)13-8(3)11(7-12-13)9(4)14/h7,10H,5-6H2,1-4H3
InChIKeyDKJMWSVQGXHNEV-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120523692
4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515305
N'-hydroxy-5-methyl-1-pentan-3-ylpyrazole-4-carboximidamide
CID 112713857
3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120522803
2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525842
2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid
CID 120519607
3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120520920
3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120532617
3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120537175
1-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515128
4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide
CID 122141267
5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide
CID 122141640

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone (CID 61271115) is 1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone is CCC(CC)n1ncc(C(C)=O)c1C.
What is the InChIKey of 1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone?
The InChIKey is DKJMWSVQGXHNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-10(6-2)13-8(3)11(7-12-13)9(4)14/h7,10H,5-6H2,1-4H3.
What are the key properties of 1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone?
1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone has a molecular weight of 194.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone is sourced from PubChem (CID 61271115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).