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

C14H23F3N2O — CID 150334553

IUPAC1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]decan-5-ol
SMILESCCCCCC(O)CCCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C14H23F3N2O/c1-2-3-4-8-12(20)9-6-5-7-11-10-18-19-13(11)14(15,16)17/h10,12,20H,2-9H2,1H3,(H,18,19)
InChIKeyGQJUXRNOQQINNZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.08
Rot. Bonds9

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

1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]decan-5-ol (PubChem CID 150334553) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]decan-5-ol.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]decan-5-ol
PubChem CID150334553
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]decan-5-ol
SMILESCCCCCC(O)CCCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C14H23F3N2O/c1-2-3-4-8-12(20)9-6-5-7-11-10-18-19-13(11)14(15,16)17/h10,12,20H,2-9H2,1H3,(H,18,19)
InChIKeyGQJUXRNOQQINNZ-UHFFFAOYSA-N
XLogP4.08
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-propanol
CID 2763521
3-(3-Heptafluoropropyl-1H-pyrazol-4-yl)-propan-1-ol
CID 9971658
3-(3-Undecafluoropentyl-1H-pyrazol-4-yl)-propan-1-ol
CID 10475700
3-[5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol
CID 10047203
3-[5-(7-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)-1H-pyrazol-4-yl]propan-1-ol
CID 10052062
3-[5-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-4-yl]propan-1-ol
CID 10267428
3-[5-[1,1,2,2,3,3,4,4-octafluoro-4-[4-(3-hydroxypropyl)-1H-pyrazol-5-yl]butyl]-1H-pyrazol-4-yl]propan-1-ol
CID 11744464
4-pentyl-5-(trifluoromethyl)-1H-pyrazole
CID 67153901
2-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 70818131
[3-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]butan-2-yl] formate
CID 174614639
3-[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1H-pyrazol-4-yl]propan-1-ol
CID 10097250
1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol
CID 83675742

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]decan-5-ol?
The IUPAC name of 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]decan-5-ol (CID 150334553) is 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]decan-5-ol.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]decan-5-ol?
The canonical SMILES for 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]decan-5-ol is CCCCCC(O)CCCCc1cn[nH]c1C(F)(F)F.
What is the InChIKey of 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]decan-5-ol?
The InChIKey is GQJUXRNOQQINNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-2-3-4-8-12(20)9-6-5-7-11-10-18-19-13(11)14(15,16)17/h10,12,20H,2-9H2,1H3,(H,18,19).
What are the key properties of 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]decan-5-ol?
1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]decan-5-ol has a molecular weight of 292.34 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]decan-5-ol is sourced from PubChem (CID 150334553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).