(1-ethylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

C20H24F3N3O — CID 56873801

IUPAC(1-ethylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC(CCc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C20H24F3N3O/c1-2-26-13-11-18(24-26)19(27)25-12-5-6-15(14-25)9-10-16-7-3-4-8-17(16)20(21,22)23/h3-4,7-8,11,13,15H,2,5-6,9-10,12,14H2,1H3
InChIKeyDTZZZXHZGLRGEO-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.41
Rot. Bonds5

About (1-ethylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (PubChem CID 56873801) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
PubChem CID56873801
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name(1-ethylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC(CCc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C20H24F3N3O/c1-2-26-13-11-18(24-26)19(27)25-12-5-6-15(14-25)9-10-16-7-3-4-8-17(16)20(21,22)23/h3-4,7-8,11,13,15H,2,5-6,9-10,12,14H2,1H3
InChIKeyDTZZZXHZGLRGEO-UHFFFAOYSA-N
XLogP4.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (CID 56873801) is (1-ethylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is CCn1ccc(C(=O)N2CCCC(CCc3ccccc3C(F)(F)F)C2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The InChIKey is DTZZZXHZGLRGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c1-2-26-13-11-18(24-26)19(27)25-12-5-6-15(14-25)9-10-16-7-3-4-8-17(16)20(21,22)23/h3-4,7-8,11,13,15H,2,5-6,9-10,12,14H2,1H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 379.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56873801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).