(4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C20H18F3N5O — CID 2813860

IUPAC(4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)17-3-1-8-24-18(17)26-11-13-27(14-12-26)19(29)15-4-6-16(7-5-15)28-10-2-9-25-28/h1-10H,11-14H2
InChIKeySSKPCZGNEJTDPQ-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.25
Rot. Bonds3

About (4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

(4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 2813860) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID2813860
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC Name(4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)17-3-1-8-24-18(17)26-11-13-27(14-12-26)19(29)15-4-6-16(7-5-15)28-10-2-9-25-28/h1-10H,11-14H2
InChIKeySSKPCZGNEJTDPQ-UHFFFAOYSA-N
XLogP3.25
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-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

Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 2813860) is (4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is O=C(c1ccc(-n2cccn2)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is SSKPCZGNEJTDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c21-20(22,23)17-3-1-8-24-18(17)26-11-13-27(14-12-26)19(29)15-4-6-16(7-5-15)28-10-2-9-25-28/h1-10H,11-14H2.
What are the key properties of (4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
(4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 401.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2813860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).