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

C19H22F3N3O — CID 56862410

IUPAC(1-methylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCCC(CCc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C19H22F3N3O/c1-24-12-10-17(23-24)18(26)25-11-4-5-14(13-25)8-9-15-6-2-3-7-16(15)19(20,21)22/h2-3,6-7,10,12,14H,4-5,8-9,11,13H2,1H3
InChIKeyHUEJLVUHNWHITP-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.92
Rot. Bonds4

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

(1-methylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (PubChem CID 56862410) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
PubChem CID56862410
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name(1-methylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCCC(CCc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C19H22F3N3O/c1-24-12-10-17(23-24)18(26)25-11-4-5-14(13-25)8-9-15-6-2-3-7-16(15)19(20,21)22/h2-3,6-7,10,12,14H,4-5,8-9,11,13H2,1H3
InChIKeyHUEJLVUHNWHITP-UHFFFAOYSA-N
XLogP3.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (CID 56862410) is (1-methylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is Cn1ccc(C(=O)N2CCCC(CCc3ccccc3C(F)(F)F)C2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The InChIKey is HUEJLVUHNWHITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-24-12-10-17(23-24)18(26)25-11-4-5-14(13-25)8-9-15-6-2-3-7-16(15)19(20,21)22/h2-3,6-7,10,12,14H,4-5,8-9,11,13H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
(1-methylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 365.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56862410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).