(4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone

C22H23FN4O — CID 3945293

IUPAC(4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccccc3F)nn2-c2ccccc2)CC1
InChIInChI=1S/C22H23FN4O/c1-2-25-12-14-26(15-13-25)22(28)21-16-20(18-10-6-7-11-19(18)23)24-27(21)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3
InChIKeyOMAGEBXOHKLHKR-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.46
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone

(4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone (PubChem CID 3945293) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
PubChem CID3945293
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name(4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccccc3F)nn2-c2ccccc2)CC1
InChIInChI=1S/C22H23FN4O/c1-2-25-12-14-26(15-13-25)22(28)21-16-20(18-10-6-7-11-19(18)23)24-27(21)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3
InChIKeyOMAGEBXOHKLHKR-UHFFFAOYSA-N
XLogP3.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone 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

[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42759370
[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 3971984
(2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
CID 42754732
[1-(4-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6296191
[3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 42759128
[3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3687460
3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4218340
ethyl 4-[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 42759373
ethyl 1-[3-(2-fluorophenyl)-1-(4-nitrophenyl)pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 5126084
(4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazol-5-yl]methanone
CID 42758535
[1-(3,4-dichlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4679362
(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78797284

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone (CID 3945293) is (4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone is CCN1CCN(C(=O)c2cc(-c3ccccc3F)nn2-c2ccccc2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone?
The InChIKey is OMAGEBXOHKLHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-2-25-12-14-26(15-13-25)22(28)21-16-20(18-10-6-7-11-19(18)23)24-27(21)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone?
(4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone has a molecular weight of 378.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone is sourced from PubChem (CID 3945293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).