[1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

C23H23F3N4O2 — CID 71561614

IUPAC[1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1nn(C)c(Oc2ccccc2C(F)(F)F)c1C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C23H23F3N4O2/c1-15-20(21(31)30-13-6-5-10-18(30)16-8-7-12-27-14-16)22(29(2)28-15)32-19-11-4-3-9-17(19)23(24,25)26/h3-4,7-9,11-12,14,18H,5-6,10,13H2,1-2H3
InChIKeyDQWNTGMOUIJOAL-UHFFFAOYSA-N
MW444.46 g/mol
LogP5.30
Rot. Bonds4

About [1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

[1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 71561614) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is [1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID71561614
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name[1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1nn(C)c(Oc2ccccc2C(F)(F)F)c1C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C23H23F3N4O2/c1-15-20(21(31)30-13-6-5-10-18(30)16-8-7-12-27-14-16)22(29(2)28-15)32-19-11-4-3-9-17(19)23(24,25)26/h3-4,7-9,11-12,14,18H,5-6,10,13H2,1-2H3
InChIKeyDQWNTGMOUIJOAL-UHFFFAOYSA-N
XLogP5.30
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.46
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-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 [1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 71561614) is [1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is Cc1nn(C)c(Oc2ccccc2C(F)(F)F)c1C(=O)N1CCCCC1c1cccnc1.
What is the InChIKey of [1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is DQWNTGMOUIJOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-15-20(21(31)30-13-6-5-10-18(30)16-8-7-12-27-14-16)22(29(2)28-15)32-19-11-4-3-9-17(19)23(24,25)26/h3-4,7-9,11-12,14,18H,5-6,10,13H2,1-2H3.
What are the key properties of [1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
[1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 444.46 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71561614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).