1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol

C16H30N2O — CID 105084964

IUPAC1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol
SMILESCCCCCCCCCC(O)c1c(C)nn(C)c1C
InChIInChI=1S/C16H30N2O/c1-5-6-7-8-9-10-11-12-15(19)16-13(2)17-18(4)14(16)3/h15,19H,5-12H2,1-4H3
InChIKeyOBGMXMQCOAZFFD-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.21
Rot. Bonds9

About 1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol

1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol (PubChem CID 105084964) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol.

Molecular Properties

Compound Name1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol
PubChem CID105084964
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol
SMILESCCCCCCCCCC(O)c1c(C)nn(C)c1C
InChIInChI=1S/C16H30N2O/c1-5-6-7-8-9-10-11-12-15(19)16-13(2)17-18(4)14(16)3/h15,19H,5-12H2,1-4H3
InChIKeyOBGMXMQCOAZFFD-UHFFFAOYSA-N
XLogP4.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.21
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

N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
CID 105129458
1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol
CID 105102312
(1R)-2-bromo-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 83001320
1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 115580072
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol
CID 105076282
1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol
CID 65426941
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105125446
1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol
CID 79569749
1-(1,5-dimethylpyrazol-4-yl)decan-1-ol
CID 79584764
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine
CID 105127854
1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
CID 105084923
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105106613

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol?
The IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol (CID 105084964) is 1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol.
What is the SMILES notation for 1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol?
The canonical SMILES for 1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol is CCCCCCCCCC(O)c1c(C)nn(C)c1C.
What is the InChIKey of 1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol?
The InChIKey is OBGMXMQCOAZFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-6-7-8-9-10-11-12-15(19)16-13(2)17-18(4)14(16)3/h15,19H,5-12H2,1-4H3.
What are the key properties of 1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol?
1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol has a molecular weight of 266.43 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol is sourced from PubChem (CID 105084964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).