4-fluoro-1-(oxan-2-yl)pyrazole

C8H11FN2O — CID 146570648

IUPAC4-fluoro-1-(oxan-2-yl)pyrazole
SMILESFc1cnn(C2CCCCO2)c1
InChIInChI=1S/C8H11FN2O/c9-7-5-10-11(6-7)8-3-1-2-4-12-8/h5-6,8H,1-4H2
InChIKeyFKHCIFMAVQHHRU-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.72
Rot. Bonds1

About 4-fluoro-1-(oxan-2-yl)pyrazole

4-fluoro-1-(oxan-2-yl)pyrazole (PubChem CID 146570648) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 4-fluoro-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name4-fluoro-1-(oxan-2-yl)pyrazole
PubChem CID146570648
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name4-fluoro-1-(oxan-2-yl)pyrazole
SMILESFc1cnn(C2CCCCO2)c1
InChIInChI=1S/C8H11FN2O/c9-7-5-10-11(6-7)8-3-1-2-4-12-8/h5-6,8H,1-4H2
InChIKeyFKHCIFMAVQHHRU-UHFFFAOYSA-N
XLogP1.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Tetrahydropyranyl)-1H-pyrazole
CID 21866310
4-bromo-1-(oxan-2-yl)-1H-pyrazole
CID 46739466
4-iodo-1-(oxan-4-yl)-1H-pyrazole
CID 64428744
1-(oxan-2-yl)-1H-pyrazol-4-amine
CID 83814631
5-fluoro-4-iodo-1-(oxan-4-yl)-1H-pyrazole
CID 177799370
1-[(2R)-oxan-2-yl]pyrazole
CID 44141286
1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole-4-carbonyl fluoride
CID 86039217
5-Fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
CID 130296977
3-Fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
CID 149483062
4-Bromo-3-fluoro-1-(tetrahydro-2H-pyran-2-YL)-1H-pyrazole
CID 151878851
4-Fluoro-5-methoxysulfanyl-1-(oxan-2-yl)pyrazole
CID 153588493
4-Fluoro-5-methyl-1-(oxan-2-yl)pyrazole
CID 154684879

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(oxan-2-yl)pyrazole?
The IUPAC name of 4-fluoro-1-(oxan-2-yl)pyrazole (CID 146570648) is 4-fluoro-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 4-fluoro-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 4-fluoro-1-(oxan-2-yl)pyrazole is Fc1cnn(C2CCCCO2)c1.
What is the InChIKey of 4-fluoro-1-(oxan-2-yl)pyrazole?
The InChIKey is FKHCIFMAVQHHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c9-7-5-10-11(6-7)8-3-1-2-4-12-8/h5-6,8H,1-4H2.
What are the key properties of 4-fluoro-1-(oxan-2-yl)pyrazole?
4-fluoro-1-(oxan-2-yl)pyrazole has a molecular weight of 170.19 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 146570648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).