2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol

C10H15F3N2O — CID 134509611

IUPAC2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol
SMILESCCCCCn1cc(C(O)C(F)(F)F)cn1
InChIInChI=1S/C10H15F3N2O/c1-2-3-4-5-15-7-8(6-14-15)9(16)10(11,12)13/h6-7,9,16H,2-5H2,1H3
InChIKeyAFASYLNCHPAFMH-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.67
Rot. Bonds5

About 2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol

2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol (PubChem CID 134509611) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol
PubChem CID134509611
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol
SMILESCCCCCn1cc(C(O)C(F)(F)F)cn1
InChIInChI=1S/C10H15F3N2O/c1-2-3-4-5-15-7-8(6-14-15)9(16)10(11,12)13/h6-7,9,16H,2-5H2,1H3
InChIKeyAFASYLNCHPAFMH-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.67
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-pentyl-4-(trifluoromethyl)pyrazole
CID 173052071
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 114981636
4-(1-chloropropyl)-1-dodecylpyrazole
CID 63512488
2,2,2-trifluoro-1-(1-nonylpyrazol-4-yl)ethanone
CID 63754418
1-(1-butylpyrazol-4-yl)propan-1-amine
CID 62731708
1-(1-ethylpyrazol-4-yl)dodecan-1-ol
CID 115778864
1,4-dipentylpyrazole
CID 70562897
butyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate
CID 103572850
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol
CID 104566990
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol
CID 103449416

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol (CID 134509611) is 2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol is CCCCCn1cc(C(O)C(F)(F)F)cn1.
What is the InChIKey of 2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol?
The InChIKey is AFASYLNCHPAFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-2-3-4-5-15-7-8(6-14-15)9(16)10(11,12)13/h6-7,9,16H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol?
2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol has a molecular weight of 236.24 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol is sourced from PubChem (CID 134509611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).