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

C21H26F3N3O — CID 56868187

IUPAC(2-propylpyrazol-3-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESCCCn1nccc1C(=O)N1CCCC(CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H26F3N3O/c1-2-12-27-19(10-11-25-27)20(28)26-13-4-6-17(15-26)9-8-16-5-3-7-18(14-16)21(22,23)24/h3,5,7,10-11,14,17H,2,4,6,8-9,12-13,15H2,1H3
InChIKeyXLGXWTBYKUSXHK-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.80
Rot. Bonds6

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

(2-propylpyrazol-3-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (PubChem CID 56868187) has the molecular formula C21H26F3N3O and a molecular weight of 393.45 g/mol. Its IUPAC name is (2-propylpyrazol-3-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-propylpyrazol-3-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
PubChem CID56868187
Molecular FormulaC21H26F3N3O
Molecular Weight393.45 g/mol
Exact Mass393.20
IUPAC Name(2-propylpyrazol-3-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESCCCn1nccc1C(=O)N1CCCC(CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H26F3N3O/c1-2-12-27-19(10-11-25-27)20(28)26-13-4-6-17(15-26)9-8-16-5-3-7-18(14-16)21(22,23)24/h3,5,7,10-11,14,17H,2,4,6,8-9,12-13,15H2,1H3
InChIKeyXLGXWTBYKUSXHK-UHFFFAOYSA-N
XLogP4.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-propylpyrazol-3-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of (2-propylpyrazol-3-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (CID 56868187) is (2-propylpyrazol-3-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-propylpyrazol-3-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-propylpyrazol-3-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is CCCn1nccc1C(=O)N1CCCC(CCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (2-propylpyrazol-3-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The InChIKey is XLGXWTBYKUSXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O/c1-2-12-27-19(10-11-25-27)20(28)26-13-4-6-17(15-26)9-8-16-5-3-7-18(14-16)21(22,23)24/h3,5,7,10-11,14,17H,2,4,6,8-9,12-13,15H2,1H3.
What are the key properties of (2-propylpyrazol-3-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
(2-propylpyrazol-3-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 393.45 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylpyrazol-3-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56868187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).