1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one

C16H19FN4O — CID 120737134

IUPAC1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1c1cccc(F)c1)n1cccn1
InChIInChI=1S/C16H19FN4O/c1-12(21-8-3-6-19-21)16(22)20-9-7-18-11-15(20)13-4-2-5-14(17)10-13/h2-6,8,10,12,15,18H,7,9,11H2,1H3
InChIKeyFSBNTIDVZJEQOF-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.76
Rot. Bonds3

About 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (PubChem CID 120737134) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
PubChem CID120737134
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1c1cccc(F)c1)n1cccn1
InChIInChI=1S/C16H19FN4O/c1-12(21-8-3-6-19-21)16(22)20-9-7-18-11-15(20)13-4-2-5-14(17)10-13/h2-6,8,10,12,15,18H,7,9,11H2,1H3
InChIKeyFSBNTIDVZJEQOF-UHFFFAOYSA-N
XLogP1.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 120735854
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 120736144
N-[1-[2-(3-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 120737082
2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120735900
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride
CID 120735492
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 120737414
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride
CID 120737193
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 120737146
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride
CID 120737787
2-butylsulfanyl-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120735966
[2-(3-fluorophenyl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 120736138
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (CID 120737134) is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is CC(C(=O)N1CCNCC1c1cccc(F)c1)n1cccn1.
What is the InChIKey of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The InChIKey is FSBNTIDVZJEQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-12(21-8-3-6-19-21)16(22)20-9-7-18-11-15(20)13-4-2-5-14(17)10-13/h2-6,8,10,12,15,18H,7,9,11H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one has a molecular weight of 302.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 120737134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).