3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one

C17H20FN3O — CID 53033076

IUPAC3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCn1cc(CCC(=O)N2CCCC2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H20FN3O/c1-20-12-14(6-9-16(22)21-10-2-3-11-21)17(19-20)13-4-7-15(18)8-5-13/h4-5,7-8,12H,2-3,6,9-11H2,1H3
InChIKeyZUVKLPUCVYNMBX-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.78
Rot. Bonds4

About 3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 53033076) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID53033076
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCn1cc(CCC(=O)N2CCCC2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H20FN3O/c1-20-12-14(6-9-16(22)21-10-2-3-11-21)17(19-20)13-4-7-15(18)8-5-13/h4-5,7-8,12H,2-3,6,9-11H2,1H3
InChIKeyZUVKLPUCVYNMBX-UHFFFAOYSA-N
XLogP2.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one
CID 53033057
[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol
CID 39095873
N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide
CID 53058883
1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one
CID 46295896
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one
CID 110333957
3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one
CID 24946900
3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 71839759
2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
CID 172677002
3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-piperidin-1-ylpropan-1-one
CID 20863056
N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
CID 53033030
3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871983

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 53033076) is 3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one is Cn1cc(CCC(=O)N2CCCC2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ZUVKLPUCVYNMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-20-12-14(6-9-16(22)21-10-2-3-11-21)17(19-20)13-4-7-15(18)8-5-13/h4-5,7-8,12H,2-3,6,9-11H2,1H3.
What are the key properties of 3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 301.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 53033076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).