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

C10H15FN2O — CID 166122043

IUPAC1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole
SMILESFCCn1cc(C2CCCCO2)cn1
InChIInChI=1S/C10H15FN2O/c11-4-5-13-8-9(7-12-13)10-3-1-2-6-14-10/h7-8,10H,1-6H2
InChIKeyNUJNXBVXBBGJIX-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.09
Rot. Bonds3

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

1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole (PubChem CID 166122043) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole
PubChem CID166122043
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole
SMILESFCCn1cc(C2CCCCO2)cn1
InChIInChI=1S/C10H15FN2O/c11-4-5-13-8-9(7-12-13)10-3-1-2-6-14-10/h7-8,10H,1-6H2
InChIKeyNUJNXBVXBBGJIX-UHFFFAOYSA-N
XLogP2.09
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole?
The IUPAC name of 1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole (CID 166122043) is 1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole?
The canonical SMILES for 1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole is FCCn1cc(C2CCCCO2)cn1.
What is the InChIKey of 1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole?
The InChIKey is NUJNXBVXBBGJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c11-4-5-13-8-9(7-12-13)10-3-1-2-6-14-10/h7-8,10H,1-6H2.
What are the key properties of 1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole?
1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole has a molecular weight of 198.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole is sourced from PubChem (CID 166122043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).