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

C19H19FN2O — CID 25146034

IUPAC1-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccc(F)cc2)CC1c1ccc(C)cc1
InChIInChI=1S/C19H19FN2O/c1-3-19(23)22-18(15-6-4-13(2)5-7-15)12-17(21-22)14-8-10-16(20)11-9-14/h4-11,18H,3,12H2,1-2H3
InChIKeyDFGASDUNYGNDLH-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.22
Rot. Bonds3

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

1-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one (PubChem CID 25146034) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
PubChem CID25146034
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name1-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccc(F)cc2)CC1c1ccc(C)cc1
InChIInChI=1S/C19H19FN2O/c1-3-19(23)22-18(15-6-4-13(2)5-7-15)12-17(21-22)14-8-10-16(20)11-9-14/h4-11,18H,3,12H2,1-2H3
InChIKeyDFGASDUNYGNDLH-UHFFFAOYSA-N
XLogP4.22
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The IUPAC name of 1-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one (CID 25146034) is 1-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one is CCC(=O)N1N=C(c2ccc(F)cc2)CC1c1ccc(C)cc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The InChIKey is DFGASDUNYGNDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-3-19(23)22-18(15-6-4-13(2)5-7-15)12-17(21-22)14-8-10-16(20)11-9-14/h4-11,18H,3,12H2,1-2H3.
What are the key properties of 1-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
1-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one has a molecular weight of 310.37 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one is sourced from PubChem (CID 25146034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).