1-(1,3-diethylpyrazol-5-yl)decan-2-ol

C17H32N2O — CID 115815685

IUPAC1-(1,3-diethylpyrazol-5-yl)decan-2-ol
SMILESCCCCCCCCC(O)Cc1cc(CC)nn1CC
InChIInChI=1S/C17H32N2O/c1-4-7-8-9-10-11-12-17(20)14-16-13-15(5-2)18-19(16)6-3/h13,17,20H,4-12,14H2,1-3H3
InChIKeyKGYYJIGLFQLXBE-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.12
Rot. Bonds11

About 1-(1,3-diethylpyrazol-5-yl)decan-2-ol

1-(1,3-diethylpyrazol-5-yl)decan-2-ol (PubChem CID 115815685) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)decan-2-ol.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)decan-2-ol
PubChem CID115815685
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(1,3-diethylpyrazol-5-yl)decan-2-ol
SMILESCCCCCCCCC(O)Cc1cc(CC)nn1CC
InChIInChI=1S/C17H32N2O/c1-4-7-8-9-10-11-12-17(20)14-16-13-15(5-2)18-19(16)6-3/h13,17,20H,4-12,14H2,1-3H3
InChIKeyKGYYJIGLFQLXBE-UHFFFAOYSA-N
XLogP4.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol
CID 115813546
1-(1,3-diethylpyrazol-5-yl)hexan-2-amine
CID 79411779
1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine
CID 79404804
1-(1,3-diethylpyrazol-5-yl)-N-propan-2-ylhexan-2-amine
CID 79412564
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol
CID 115813367
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148
1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol
CID 112575301
1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
CID 105084923
1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105127926
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine
CID 105001734
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine
CID 105002717
1-(1-propan-2-ylpyrazol-3-yl)nonan-2-ol
CID 64770989

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)decan-2-ol?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)decan-2-ol (CID 115815685) is 1-(1,3-diethylpyrazol-5-yl)decan-2-ol.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)decan-2-ol?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)decan-2-ol is CCCCCCCCC(O)Cc1cc(CC)nn1CC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)decan-2-ol?
The InChIKey is KGYYJIGLFQLXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-7-8-9-10-11-12-17(20)14-16-13-15(5-2)18-19(16)6-3/h13,17,20H,4-12,14H2,1-3H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)decan-2-ol?
1-(1,3-diethylpyrazol-5-yl)decan-2-ol has a molecular weight of 280.46 g/mol, XLogP of 4.12, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)decan-2-ol is sourced from PubChem (CID 115815685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).