1-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid

C18H21FN4O3 — CID 19470721

IUPAC1-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(CCC(=O)N2CCN(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H21FN4O3/c19-15-3-1-14(2-4-15)13-21-9-11-22(12-10-21)17(24)6-8-23-7-5-16(20-23)18(25)26/h1-5,7H,6,8-13H2,(H,25,26)
InChIKeyARSLJKSJRUQLSO-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.45
Rot. Bonds6

About 1-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid

1-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid (PubChem CID 19470721) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid
PubChem CID19470721
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name1-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(CCC(=O)N2CCN(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H21FN4O3/c19-15-3-1-14(2-4-15)13-21-9-11-22(12-10-21)17(24)6-8-23-7-5-16(20-23)18(25)26/h1-5,7H,6,8-13H2,(H,25,26)
InChIKeyARSLJKSJRUQLSO-UHFFFAOYSA-N
XLogP1.45
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid 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

1-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid
CID 19470852
(1-ethylpyrazol-3-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19279210
1-[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470622
3-(4-fluorophenyl)-1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 134046846
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-(phenoxymethyl)pyrazol-3-yl]methanone
CID 19472780
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(4-nitropyrazol-1-yl)propan-1-one
CID 19558492
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
3-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19560484
4-amino-1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]butan-1-one
CID 119838924
1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridin-4-ylpropan-1-one
CID 70786553
1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 46343141
3-(4-ethylphenyl)-1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 134010025

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid (CID 19470721) is 1-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid is O=C(O)c1ccn(CCC(=O)N2CCN(Cc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 1-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid?
The InChIKey is ARSLJKSJRUQLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c19-15-3-1-14(2-4-15)13-21-9-11-22(12-10-21)17(24)6-8-23-7-5-16(20-23)18(25)26/h1-5,7H,6,8-13H2,(H,25,26).
What are the key properties of 1-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid?
1-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid has a molecular weight of 360.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19470721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).