(2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone

C14H15FN2O2 — CID 114197549

IUPAC(2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2ccnn2C(C)C)c(F)c1
InChIInChI=1S/C14H15FN2O2/c1-9(2)17-13(6-7-16-17)14(18)11-5-4-10(19-3)8-12(11)15/h4-9H,1-3H3
InChIKeyWOMWQQWURYAWRI-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.84
Rot. Bonds4

About (2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone

(2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 114197549) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
PubChem CID114197549
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name(2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2ccnn2C(C)C)c(F)c1
InChIInChI=1S/C14H15FN2O2/c1-9(2)17-13(6-7-16-17)14(18)11-5-4-10(19-3)8-12(11)15/h4-9H,1-3H3
InChIKeyWOMWQQWURYAWRI-UHFFFAOYSA-N
XLogP2.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
(2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197932
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
(2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 79215178
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
(2,4-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114639995
2-(2-fluoro-4-methoxyphenyl)-2-oxoacetaldehyde;hydrate
CID 2783263
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172
(4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 114248875
(4-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640056

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone (CID 114197549) is (2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone is COc1ccc(C(=O)c2ccnn2C(C)C)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is WOMWQQWURYAWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9(2)17-13(6-7-16-17)14(18)11-5-4-10(19-3)8-12(11)15/h4-9H,1-3H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone?
(2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 262.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 114197549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).