1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one

C13H22N2O — CID 107891320

IUPAC1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1cc(CC)nn1CC
InChIInChI=1S/C13H22N2O/c1-5-8-10(4)13(16)12-9-11(6-2)14-15(12)7-3/h9-10H,5-8H2,1-4H3
InChIKeyRBRHVBPIKAOZMQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.08
Rot. Bonds6

About 1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one

1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one (PubChem CID 107891320) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one
PubChem CID107891320
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1cc(CC)nn1CC
InChIInChI=1S/C13H22N2O/c1-5-8-10(4)13(16)12-9-11(6-2)14-15(12)7-3/h9-10H,5-8H2,1-4H3
InChIKeyRBRHVBPIKAOZMQ-UHFFFAOYSA-N
XLogP3.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromobutan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 83180018
N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 104556601
N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 106356961
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 105119427
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
N-(4-amino-2-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66122010
1,3-diethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrazole-5-carboxamide
CID 106352951
(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671135
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide
CID 102914495
1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide
CID 66121592

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one (CID 107891320) is 1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one is CCCC(C)C(=O)c1cc(CC)nn1CC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one?
The InChIKey is RBRHVBPIKAOZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-8-10(4)13(16)12-9-11(6-2)14-15(12)7-3/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one?
1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one has a molecular weight of 222.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one is sourced from PubChem (CID 107891320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).