1-fluoro-3-(2-methylpropoxy)pyrazole

C7H11FN2O — CID 121273344

IUPAC1-fluoro-3-(2-methylpropoxy)pyrazole
SMILESCC(C)COc1ccn(F)n1
InChIInChI=1S/C7H11FN2O/c1-6(2)5-11-7-3-4-10(8)9-7/h3-4,6H,5H2,1-2H3
InChIKeyZXMFTOCNESORIV-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.65
Rot. Bonds3

About 1-fluoro-3-(2-methylpropoxy)pyrazole

1-fluoro-3-(2-methylpropoxy)pyrazole (PubChem CID 121273344) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-fluoro-3-(2-methylpropoxy)pyrazole.

Molecular Properties

Compound Name1-fluoro-3-(2-methylpropoxy)pyrazole
PubChem CID121273344
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name1-fluoro-3-(2-methylpropoxy)pyrazole
SMILESCC(C)COc1ccn(F)n1
InChIInChI=1S/C7H11FN2O/c1-6(2)5-11-7-3-4-10(8)9-7/h3-4,6H,5H2,1-2H3
InChIKeyZXMFTOCNESORIV-UHFFFAOYSA-N
XLogP1.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(2-methylpropoxy)pyrazole?
The IUPAC name of 1-fluoro-3-(2-methylpropoxy)pyrazole (CID 121273344) is 1-fluoro-3-(2-methylpropoxy)pyrazole.
What is the SMILES notation for 1-fluoro-3-(2-methylpropoxy)pyrazole?
The canonical SMILES for 1-fluoro-3-(2-methylpropoxy)pyrazole is CC(C)COc1ccn(F)n1.
What is the InChIKey of 1-fluoro-3-(2-methylpropoxy)pyrazole?
The InChIKey is ZXMFTOCNESORIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-6(2)5-11-7-3-4-10(8)9-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-fluoro-3-(2-methylpropoxy)pyrazole?
1-fluoro-3-(2-methylpropoxy)pyrazole has a molecular weight of 158.18 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(2-methylpropoxy)pyrazole is sourced from PubChem (CID 121273344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).