4-[(2-fluoro-4-methoxyphenyl)methoxy]-1-propylpyrazole

C14H17FN2O2 — CID 102879434

IUPAC4-[(2-fluoro-4-methoxyphenyl)methoxy]-1-propylpyrazole
SMILESCCCn1cc(OCc2ccc(OC)cc2F)cn1
InChIInChI=1S/C14H17FN2O2/c1-3-6-17-9-13(8-16-17)19-10-11-4-5-12(18-2)7-14(11)15/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyJOSLCESOQUOGQK-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.02
Rot. Bonds6

About 4-[(2-fluoro-4-methoxyphenyl)methoxy]-1-propylpyrazole

4-[(2-fluoro-4-methoxyphenyl)methoxy]-1-propylpyrazole (PubChem CID 102879434) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-[(2-fluoro-4-methoxyphenyl)methoxy]-1-propylpyrazole.

Molecular Properties

Compound Name4-[(2-fluoro-4-methoxyphenyl)methoxy]-1-propylpyrazole
PubChem CID102879434
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name4-[(2-fluoro-4-methoxyphenyl)methoxy]-1-propylpyrazole
SMILESCCCn1cc(OCc2ccc(OC)cc2F)cn1
InChIInChI=1S/C14H17FN2O2/c1-3-6-17-9-13(8-16-17)19-10-11-4-5-12(18-2)7-14(11)15/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyJOSLCESOQUOGQK-UHFFFAOYSA-N
XLogP3.02
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-methoxyphenyl)methoxy]-1-propylpyrazole?
The IUPAC name of 4-[(2-fluoro-4-methoxyphenyl)methoxy]-1-propylpyrazole (CID 102879434) is 4-[(2-fluoro-4-methoxyphenyl)methoxy]-1-propylpyrazole.
What is the SMILES notation for 4-[(2-fluoro-4-methoxyphenyl)methoxy]-1-propylpyrazole?
The canonical SMILES for 4-[(2-fluoro-4-methoxyphenyl)methoxy]-1-propylpyrazole is CCCn1cc(OCc2ccc(OC)cc2F)cn1.
What is the InChIKey of 4-[(2-fluoro-4-methoxyphenyl)methoxy]-1-propylpyrazole?
The InChIKey is JOSLCESOQUOGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-3-6-17-9-13(8-16-17)19-10-11-4-5-12(18-2)7-14(11)15/h4-5,7-9H,3,6,10H2,1-2H3.
What are the key properties of 4-[(2-fluoro-4-methoxyphenyl)methoxy]-1-propylpyrazole?
4-[(2-fluoro-4-methoxyphenyl)methoxy]-1-propylpyrazole has a molecular weight of 264.30 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-methoxyphenyl)methoxy]-1-propylpyrazole is sourced from PubChem (CID 102879434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).