1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol

C16H30N2O — CID 115813546

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol
SMILESCCCCCCCCC(O)Cc1cc(CC)nn1C
InChIInChI=1S/C16H30N2O/c1-4-6-7-8-9-10-11-16(19)13-15-12-14(5-2)17-18(15)3/h12,16,19H,4-11,13H2,1-3H3
InChIKeyWVWKGZQXKXWYQZ-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.64
Rot. Bonds10

About 1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol

1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol (PubChem CID 115813546) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol
PubChem CID115813546
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol
SMILESCCCCCCCCC(O)Cc1cc(CC)nn1C
InChIInChI=1S/C16H30N2O/c1-4-6-7-8-9-10-11-16(19)13-15-12-14(5-2)17-18(15)3/h12,16,19H,4-11,13H2,1-3H3
InChIKeyWVWKGZQXKXWYQZ-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.64
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-(1,3-diethylpyrazol-5-yl)decan-2-ol
CID 115815685
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine
CID 104999295
4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol
CID 105107607
1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
CID 105084923
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine
CID 105138150
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine
CID 115649859
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105127778
2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine
CID 114004597
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine
CID 116718430
1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106695553

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol (CID 115813546) is 1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol is CCCCCCCCC(O)Cc1cc(CC)nn1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol?
The InChIKey is WVWKGZQXKXWYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-6-7-8-9-10-11-16(19)13-15-12-14(5-2)17-18(15)3/h12,16,19H,4-11,13H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol?
1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol has a molecular weight of 266.43 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol is sourced from PubChem (CID 115813546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).