1-(1,5-dimethylpyrazol-4-yl)decan-1-ol

C15H28N2O — CID 79584764

IUPAC1-(1,5-dimethylpyrazol-4-yl)decan-1-ol
SMILESCCCCCCCCCC(O)c1cnn(C)c1C
InChIInChI=1S/C15H28N2O/c1-4-5-6-7-8-9-10-11-15(18)14-12-16-17(3)13(14)2/h12,15,18H,4-11H2,1-3H3
InChIKeyZAVRMWWOUOZZCN-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.90
Rot. Bonds9

About 1-(1,5-dimethylpyrazol-4-yl)decan-1-ol

1-(1,5-dimethylpyrazol-4-yl)decan-1-ol (PubChem CID 79584764) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)decan-1-ol.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)decan-1-ol
PubChem CID79584764
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)decan-1-ol
SMILESCCCCCCCCCC(O)c1cnn(C)c1C
InChIInChI=1S/C15H28N2O/c1-4-5-6-7-8-9-10-11-15(18)14-12-16-17(3)13(14)2/h12,15,18H,4-11H2,1-3H3
InChIKeyZAVRMWWOUOZZCN-UHFFFAOYSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.90
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-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol
CID 79569749
1-(1,5-dimethylpyrazol-4-yl)butan-1-ol
CID 79584948
1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine
CID 105126212
1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol
CID 107012235
(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 96631923
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
3-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 105105760
1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol
CID 115836696
1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol
CID 114635666
1-(4-chloro-1-methylpyrazol-5-yl)nonan-1-ol
CID 115836753
2-(aminomethyl)-1-(1,5-dimethylpyrazol-4-yl)pentan-1-ol
CID 79595137
2-(cyclopropylamino)-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 79584520

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)decan-1-ol?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)decan-1-ol (CID 79584764) is 1-(1,5-dimethylpyrazol-4-yl)decan-1-ol.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)decan-1-ol?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)decan-1-ol is CCCCCCCCCC(O)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)decan-1-ol?
The InChIKey is ZAVRMWWOUOZZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-5-6-7-8-9-10-11-15(18)14-12-16-17(3)13(14)2/h12,15,18H,4-11H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)decan-1-ol?
1-(1,5-dimethylpyrazol-4-yl)decan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)decan-1-ol is sourced from PubChem (CID 79584764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).