5,5,5-trifluoro-3-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol

C9H13F3N2O — CID 165472283

IUPAC5,5,5-trifluoro-3-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol
SMILESCC(CC(O)c1cn[nH]c1)CC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-6(3-9(10,11)12)2-8(15)7-4-13-14-5-7/h4-6,8,15H,2-3H2,1H3,(H,13,14)
InChIKeyZXHCBASNTSEGIK-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.42
Rot. Bonds4

About 5,5,5-trifluoro-3-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol

5,5,5-trifluoro-3-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol (PubChem CID 165472283) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 5,5,5-trifluoro-3-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-3-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol
PubChem CID165472283
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name5,5,5-trifluoro-3-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol
SMILESCC(CC(O)c1cn[nH]c1)CC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-6(3-9(10,11)12)2-8(15)7-4-13-14-5-7/h4-6,8,15H,2-3H2,1H3,(H,13,14)
InChIKeyZXHCBASNTSEGIK-UHFFFAOYSA-N
XLogP2.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-3-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-3-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol (CID 165472283) is 5,5,5-trifluoro-3-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-3-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-3-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol is CC(CC(O)c1cn[nH]c1)CC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-3-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol?
The InChIKey is ZXHCBASNTSEGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-6(3-9(10,11)12)2-8(15)7-4-13-14-5-7/h4-6,8,15H,2-3H2,1H3,(H,13,14).
What are the key properties of 5,5,5-trifluoro-3-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol?
5,5,5-trifluoro-3-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol has a molecular weight of 222.21 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-3-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol is sourced from PubChem (CID 165472283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).