1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]decan-1-ol

C15H25F3N2O — CID 101394457

IUPAC1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]decan-1-ol
SMILESCCCCCCCCCC(O)c1c(C(F)(F)F)cnn1C
InChIInChI=1S/C15H25F3N2O/c1-3-4-5-6-7-8-9-10-13(21)14-12(15(16,17)18)11-19-20(14)2/h11,13,21H,3-10H2,1-2H3
InChIKeySEPBLTRZHOJZSV-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.61
Rot. Bonds9

About 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]decan-1-ol

1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]decan-1-ol (PubChem CID 101394457) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]decan-1-ol.

Molecular Properties

Compound Name1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]decan-1-ol
PubChem CID101394457
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]decan-1-ol
SMILESCCCCCCCCCC(O)c1c(C(F)(F)F)cnn1C
InChIInChI=1S/C15H25F3N2O/c1-3-4-5-6-7-8-9-10-13(21)14-12(15(16,17)18)11-19-20(14)2/h11,13,21H,3-10H2,1-2H3
InChIKeySEPBLTRZHOJZSV-UHFFFAOYSA-N
XLogP4.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.61
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

(1R)-1-(1,4-dimethyl-1H-pyrazol-5-yl)ethan-1-ol
CID 154828527
cyclohexyl(1-methyl-1H-pyrazol-3-yl)methanol
CID 65195367
(1S)-1-(1,4-dimethyl-1H-pyrazol-5-yl)ethan-1-ol
CID 154832493
(1R)-1-(1,4-dimethyl-1H-pyrazol-3-yl)ethan-1-ol
CID 165723508
(1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol
CID 139090699
(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]but-2-en-1-ol
CID 101394454
[1-Methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol
CID 102385474
2-Ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol
CID 102385481
(1S,2R)-4,4-Difluoro-1-(1-methyl-1H-pyrazol-5-yl)cyclohexane-1,2-diol
CID 89963063
3-Fluoro-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 129296360
1-[4-Methyl-1-(trifluoromethyl)pyrazol-3-yl]ethanol
CID 130360620
1-(1,4-Dimethyl-1h-pyrazol-5-yl)-2,2,2-trifluoroethan-1-ol
CID 130527377

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]decan-1-ol?
The IUPAC name of 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]decan-1-ol (CID 101394457) is 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]decan-1-ol.
What is the SMILES notation for 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]decan-1-ol?
The canonical SMILES for 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]decan-1-ol is CCCCCCCCCC(O)c1c(C(F)(F)F)cnn1C.
What is the InChIKey of 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]decan-1-ol?
The InChIKey is SEPBLTRZHOJZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-3-4-5-6-7-8-9-10-13(21)14-12(15(16,17)18)11-19-20(14)2/h11,13,21H,3-10H2,1-2H3.
What are the key properties of 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]decan-1-ol?
1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]decan-1-ol has a molecular weight of 306.37 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]decan-1-ol is sourced from PubChem (CID 101394457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).