1-(1-methyl-3-pentylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one

C16H26N2O2 — CID 162205786

IUPAC1-(1-methyl-3-pentylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
SMILESCCCCCc1cc(C(=O)CCC2CCOC2)n(C)n1
InChIInChI=1S/C16H26N2O2/c1-3-4-5-6-14-11-15(18(2)17-14)16(19)8-7-13-9-10-20-12-13/h11,13H,3-10,12H2,1-2H3
InChIKeyZSEAWRNJHLWBKH-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.15
Rot. Bonds8

About 1-(1-methyl-3-pentylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one

1-(1-methyl-3-pentylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one (PubChem CID 162205786) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(1-methyl-3-pentylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-methyl-3-pentylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
PubChem CID162205786
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(1-methyl-3-pentylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
SMILESCCCCCc1cc(C(=O)CCC2CCOC2)n(C)n1
InChIInChI=1S/C16H26N2O2/c1-3-4-5-6-14-11-15(18(2)17-14)16(19)8-7-13-9-10-20-12-13/h11,13H,3-10,12H2,1-2H3
InChIKeyZSEAWRNJHLWBKH-UHFFFAOYSA-N
XLogP3.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)ethanone
CID 84651886
(1-methyl-3-propan-2-ylpyrazol-5-yl)-[(5R)-1-oxa-9-azaspiro[4.6]undecan-9-yl]methanone
CID 97941592
Ethyl 3-(1-ethyl-3-methyl-1h-pyrazol-5-yl)-3-oxopropanoate
CID 129884270
2-(3,3-Difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 114225625
1-(1,3-Diethylpyrazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone
CID 114225638
2-(3,3-Difluorocyclohexyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 114225673
2-(3,3-Difluorocyclohexyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 114225697
3-isopropyl-N,1-dimethyl-N-[2-(tetrahydro-2H-pyran-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 50981946
ethyl 3-(1,3-dimethyl-1H-pyrazol-5-yl)-3-oxopropanoate
CID 6422536
[5-(2,5-Dimethylpyrazol-3-yl)-3-oxocyclohexen-1-yl] propanoate
CID 14536274
1-(4-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethanone
CID 20744113
1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)ethan-1-one
CID 23383982

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-pentylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one?
The IUPAC name of 1-(1-methyl-3-pentylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one (CID 162205786) is 1-(1-methyl-3-pentylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one.
What is the SMILES notation for 1-(1-methyl-3-pentylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one?
The canonical SMILES for 1-(1-methyl-3-pentylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one is CCCCCc1cc(C(=O)CCC2CCOC2)n(C)n1.
What is the InChIKey of 1-(1-methyl-3-pentylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one?
The InChIKey is ZSEAWRNJHLWBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-4-5-6-14-11-15(18(2)17-14)16(19)8-7-13-9-10-20-12-13/h11,13H,3-10,12H2,1-2H3.
What are the key properties of 1-(1-methyl-3-pentylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one?
1-(1-methyl-3-pentylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one has a molecular weight of 278.40 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-pentylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one is sourced from PubChem (CID 162205786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).