3-[5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol

C11H9F11N2O — CID 10475700

IUPAC3-[5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol
SMILESOCCCc1cn[nH]c1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F11N2O/c12-7(13,6-5(2-1-3-25)4-23-24-6)8(14,15)9(16,17)10(18,19)11(20,21)22/h4,25H,1-3H2,(H,23,24)
InChIKeyRHDXQURBHMLMFY-UHFFFAOYSA-N
MW394.18 g/mol
LogP3.89
Rot. Bonds7

About 3-[5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol

3-[5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol (PubChem CID 10475700) has the molecular formula C11H9F11N2O and a molecular weight of 394.18 g/mol. Its IUPAC name is 3-[5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol
PubChem CID10475700
Molecular FormulaC11H9F11N2O
Molecular Weight394.18 g/mol
Exact Mass394.05
IUPAC Name3-[5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol
SMILESOCCCc1cn[nH]c1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F11N2O/c12-7(13,6-5(2-1-3-25)4-23-24-6)8(14,15)9(16,17)10(18,19)11(20,21)22/h4,25H,1-3H2,(H,23,24)
InChIKeyRHDXQURBHMLMFY-UHFFFAOYSA-N
XLogP3.89
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.18
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[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
4-amino-5,5,5-trifluoro-4-(1H-pyrazol-5-yl)pentan-1-ol
CID 170172113
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
methyl 3-(3-(trifluoromethyl)-1H-pyrazol-4-yl)propanimidate
CID 121213234
1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]decan-5-ol
CID 150334553

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol?
The IUPAC name of 3-[5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol (CID 10475700) is 3-[5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol is OCCCc1cn[nH]c1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-[5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol?
The InChIKey is RHDXQURBHMLMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F11N2O/c12-7(13,6-5(2-1-3-25)4-23-24-6)8(14,15)9(16,17)10(18,19)11(20,21)22/h4,25H,1-3H2,(H,23,24).
What are the key properties of 3-[5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol?
3-[5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol has a molecular weight of 394.18 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 10475700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).