2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid

C18H21FN4O3 — CID 19622142

IUPAC2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)cn1
InChIInChI=1S/C18H21FN4O3/c1-13(18(25)26)23-12-15(10-20-23)17(24)22-7-5-21(6-8-22)11-14-3-2-4-16(19)9-14/h2-4,9-10,12-13H,5-8,11H2,1H3,(H,25,26)
InChIKeySHZNHHAWGCUEAY-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.63
Rot. Bonds5

About 2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid

2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid (PubChem CID 19622142) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
PubChem CID19622142
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)cn1
InChIInChI=1S/C18H21FN4O3/c1-13(18(25)26)23-12-15(10-20-23)17(24)22-7-5-21(6-8-22)11-14-3-2-4-16(19)9-14/h2-4,9-10,12-13H,5-8,11H2,1H3,(H,25,26)
InChIKeySHZNHHAWGCUEAY-UHFFFAOYSA-N
XLogP1.63
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid (CID 19622142) is 2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)cn1.
What is the InChIKey of 2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid?
The InChIKey is SHZNHHAWGCUEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-13(18(25)26)23-12-15(10-20-23)17(24)22-7-5-21(6-8-22)11-14-3-2-4-16(19)9-14/h2-4,9-10,12-13H,5-8,11H2,1H3,(H,25,26).
What are the key properties of 2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid?
2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid has a molecular weight of 360.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19622142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).