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

C18H34N2O — CID 79569749

IUPAC1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)c1cnn(C)c1C
InChIInChI=1S/C18H34N2O/c1-4-5-6-7-8-9-10-11-12-13-14-18(21)17-15-19-20(3)16(17)2/h15,18,21H,4-14H2,1-3H3
InChIKeyGYVKZRFQIYWVLH-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.07
Rot. Bonds12

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

1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol (PubChem CID 79569749) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol
PubChem CID79569749
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)c1cnn(C)c1C
InChIInChI=1S/C18H34N2O/c1-4-5-6-7-8-9-10-11-12-13-14-18(21)17-15-19-20(3)16(17)2/h15,18,21H,4-14H2,1-3H3
InChIKeyGYVKZRFQIYWVLH-UHFFFAOYSA-N
XLogP5.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.07
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)decan-1-ol
CID 79584764
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)tridecan-1-ol?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol (CID 79569749) is 1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol is CCCCCCCCCCCCC(O)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol?
The InChIKey is GYVKZRFQIYWVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-4-5-6-7-8-9-10-11-12-13-14-18(21)17-15-19-20(3)16(17)2/h15,18,21H,4-14H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol?
1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol has a molecular weight of 294.48 g/mol, XLogP of 5.07, 12 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)tridecan-1-ol is sourced from PubChem (CID 79569749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).