2-[5-(fluoromethyl)pyrazol-1-yl]ethanol

C6H9FN2O — CID 84731193

IUPAC2-[5-(fluoromethyl)pyrazol-1-yl]ethanol
SMILESOCCn1nccc1CF
InChIInChI=1S/C6H9FN2O/c7-5-6-1-2-8-9(6)3-4-10/h1-2,10H,3-5H2
InChIKeyYMMHBSFLPWDLSE-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.34
Rot. Bonds3

About 2-[5-(fluoromethyl)pyrazol-1-yl]ethanol

2-[5-(fluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 84731193) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 2-[5-(fluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(fluoromethyl)pyrazol-1-yl]ethanol
PubChem CID84731193
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name2-[5-(fluoromethyl)pyrazol-1-yl]ethanol
SMILESOCCn1nccc1CF
InChIInChI=1S/C6H9FN2O/c7-5-6-1-2-8-9(6)3-4-10/h1-2,10H,3-5H2
InChIKeyYMMHBSFLPWDLSE-UHFFFAOYSA-N
XLogP0.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 2060883
1,5-Dimethylpyrazole
CID 136502
2-Hydroxy-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ylium
CID 16682290
N-Hydroxymethyl-3-methylpyrazole
CID 127159
(5-methyl-1H-pyrazol-1-yl)acetic acid
CID 7018400
2-(3-Methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 19621865
1-Ethenyl-5-methyl-1h-pyrazole
CID 186634
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 19616490
2-[5-(Trifluoromethyl)pyrazol-1-yl]ethanol
CID 83828147
2-(3-methyl-1H-pyrazol-1-yl)acetic acid
CID 5012329
5-(Trifluoromethyl)-1H-pyrazole-1-acetic acid
CID 11127131
(1-methyl-1H-pyrazol-5-yl)methanol
CID 11815316

Frequently Asked Questions

What is the IUPAC name of 2-[5-(fluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(fluoromethyl)pyrazol-1-yl]ethanol (CID 84731193) is 2-[5-(fluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(fluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(fluoromethyl)pyrazol-1-yl]ethanol is OCCn1nccc1CF.
What is the InChIKey of 2-[5-(fluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is YMMHBSFLPWDLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c7-5-6-1-2-8-9(6)3-4-10/h1-2,10H,3-5H2.
What are the key properties of 2-[5-(fluoromethyl)pyrazol-1-yl]ethanol?
2-[5-(fluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 144.15 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(fluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 84731193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).