2,2-difluoro-1-(1H-pyrazol-4-yl)ethanol

C5H6F2N2O — CID 165473044

IUPAC2,2-difluoro-1-(1H-pyrazol-4-yl)ethanol
SMILESOC(c1cn[nH]c1)C(F)F
InChIInChI=1S/C5H6F2N2O/c6-5(7)4(10)3-1-8-9-2-3/h1-2,4-5,10H,(H,8,9)
InChIKeyNGKDQLYUXNQMSF-UHFFFAOYSA-N
MW148.11 g/mol
LogP0.71
Rot. Bonds2

About 2,2-difluoro-1-(1H-pyrazol-4-yl)ethanol

2,2-difluoro-1-(1H-pyrazol-4-yl)ethanol (PubChem CID 165473044) has the molecular formula C5H6F2N2O and a molecular weight of 148.11 g/mol. Its IUPAC name is 2,2-difluoro-1-(1H-pyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(1H-pyrazol-4-yl)ethanol
PubChem CID165473044
Molecular FormulaC5H6F2N2O
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name2,2-difluoro-1-(1H-pyrazol-4-yl)ethanol
SMILESOC(c1cn[nH]c1)C(F)F
InChIInChI=1S/C5H6F2N2O/c6-5(7)4(10)3-1-8-9-2-3/h1-2,4-5,10H,(H,8,9)
InChIKeyNGKDQLYUXNQMSF-UHFFFAOYSA-N
XLogP0.71
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol
CID 130573210
4,4,4-trifluoro-1-(1H-pyrazol-4-yl)butan-1-ol
CID 165472297
4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol
CID 171878849
2,2,2-trifluoro-1-(1H-pyrazol-4-yl)ethanamine
CID 118212236
1-(1H-pyrazol-4-yl)ethanamine;hydrochloride
CID 71757321
2,3,3-trimethyl-1-(1H-pyrazol-4-yl)butan-1-amine
CID 82408091
(2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol
CID 130930410
1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol
CID 131509867
1-(1H-pyrazol-4-yl)propan-1-amine
CID 62731706
3-(1H-pyrazol-4-yl)butanoic acid
CID 82595364
3-hydroxy-2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 114159367
1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106217693

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(1H-pyrazol-4-yl)ethanol?
The IUPAC name of 2,2-difluoro-1-(1H-pyrazol-4-yl)ethanol (CID 165473044) is 2,2-difluoro-1-(1H-pyrazol-4-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(1H-pyrazol-4-yl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(1H-pyrazol-4-yl)ethanol is OC(c1cn[nH]c1)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(1H-pyrazol-4-yl)ethanol?
The InChIKey is NGKDQLYUXNQMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O/c6-5(7)4(10)3-1-8-9-2-3/h1-2,4-5,10H,(H,8,9).
What are the key properties of 2,2-difluoro-1-(1H-pyrazol-4-yl)ethanol?
2,2-difluoro-1-(1H-pyrazol-4-yl)ethanol has a molecular weight of 148.11 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1H-pyrazol-4-yl)ethanol is sourced from PubChem (CID 165473044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).