4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole

C13H15FN2O — CID 116805220

IUPAC4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(OCc2cccc(F)c2)cn1
InChIInChI=1S/C13H15FN2O/c1-10(2)16-8-13(7-15-16)17-9-11-4-3-5-12(14)6-11/h3-8,10H,9H2,1-2H3
InChIKeyRLVJVTORWJCRNJ-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.18
Rot. Bonds4

About 4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole

4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole (PubChem CID 116805220) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole
PubChem CID116805220
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(OCc2cccc(F)c2)cn1
InChIInChI=1S/C13H15FN2O/c1-10(2)16-8-13(7-15-16)17-9-11-4-3-5-12(14)6-11/h3-8,10H,9H2,1-2H3
InChIKeyRLVJVTORWJCRNJ-UHFFFAOYSA-N
XLogP3.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
3-fluoro-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]benzonitrile
CID 116805277
4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805404
1-cyclopentyl-4-[(3-fluorophenyl)methoxy]pyrazole
CID 117234033
2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid
CID 117234298
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine
CID 114608538
1-cyclohexyl-4-[(3-fluorophenyl)methoxy]pyrazole
CID 117234039
2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine
CID 116805488
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418
1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene
CID 167222708
4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200
4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline
CID 155469561

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole?
The IUPAC name of 4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole (CID 116805220) is 4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole?
The canonical SMILES for 4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole is CC(C)n1cc(OCc2cccc(F)c2)cn1.
What is the InChIKey of 4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole?
The InChIKey is RLVJVTORWJCRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-10(2)16-8-13(7-15-16)17-9-11-4-3-5-12(14)6-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole?
4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole has a molecular weight of 234.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole is sourced from PubChem (CID 116805220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).