1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one

C19H19FN2O2 — CID 25146138

IUPAC1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccc(OC)cc2)CC1c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2/c1-3-19(23)22-18(14-4-8-15(20)9-5-14)12-17(21-22)13-6-10-16(24-2)11-7-13/h4-11,18H,3,12H2,1-2H3
InChIKeyYGUOPDGSSBTXSR-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.92
Rot. Bonds4

About 1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one

1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one (PubChem CID 25146138) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
PubChem CID25146138
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccc(OC)cc2)CC1c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2/c1-3-19(23)22-18(14-4-8-15(20)9-5-14)12-17(21-22)13-6-10-16(24-2)11-7-13/h4-11,18H,3,12H2,1-2H3
InChIKeyYGUOPDGSSBTXSR-UHFFFAOYSA-N
XLogP3.92
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one (CID 25146138) is 1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one is CCC(=O)N1N=C(c2ccc(OC)cc2)CC1c1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The InChIKey is YGUOPDGSSBTXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-3-19(23)22-18(14-4-8-15(20)9-5-14)12-17(21-22)13-6-10-16(24-2)11-7-13/h4-11,18H,3,12H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one has a molecular weight of 326.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one is sourced from PubChem (CID 25146138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).