3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine

C18H20F3N3O — CID 141241327

IUPAC3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine
SMILESFC(F)(F)Oc1ccc(C2CNCC(c3cc(C4CC4)[nH]n3)C2)cc1
InChIInChI=1S/C18H20F3N3O/c19-18(20,21)25-15-5-3-11(4-6-15)13-7-14(10-22-9-13)17-8-16(23-24-17)12-1-2-12/h3-6,8,12-14,22H,1-2,7,9-10H2,(H,23,24)
InChIKeyUNKKPHRQTWLVQR-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.05
Rot. Bonds4

About 3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine

3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine (PubChem CID 141241327) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine
PubChem CID141241327
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine
SMILESFC(F)(F)Oc1ccc(C2CNCC(c3cc(C4CC4)[nH]n3)C2)cc1
InChIInChI=1S/C18H20F3N3O/c19-18(20,21)25-15-5-3-11(4-6-15)13-7-14(10-22-9-13)17-8-16(23-24-17)12-1-2-12/h3-6,8,12-14,22H,1-2,7,9-10H2,(H,23,24)
InChIKeyUNKKPHRQTWLVQR-UHFFFAOYSA-N
XLogP4.05
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine 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

CID 1486801
CID 1486801
CID 745487
CID 745487
CID 28750454
CID 28750454
CID 3578707
CID 3578707
CID 16195261
CID 16195261
CID 3578705
CID 3578705
CID 13795334
CID 13795334
CID 44384178
CID 44384178
CID 46888074
CID 46888074
CID 130454439
CID 130454439
CID 11301624
CID 11301624
CID 45224287
CID 45224287

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine?
The IUPAC name of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine (CID 141241327) is 3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine.
What is the SMILES notation for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine?
The canonical SMILES for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine is FC(F)(F)Oc1ccc(C2CNCC(c3cc(C4CC4)[nH]n3)C2)cc1.
What is the InChIKey of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine?
The InChIKey is UNKKPHRQTWLVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c19-18(20,21)25-15-5-3-11(4-6-15)13-7-14(10-22-9-13)17-8-16(23-24-17)12-1-2-12/h3-6,8,12-14,22H,1-2,7,9-10H2,(H,23,24).
What are the key properties of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine?
3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine has a molecular weight of 351.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine is sourced from PubChem (CID 141241327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).