(2-methylpyrazol-3-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone

C21H26F3N5O — CID 24818875

IUPAC(2-methylpyrazol-3-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C21H26F3N5O/c1-26-19(7-8-25-26)20(30)29-9-3-6-18(15-29)28-12-10-27(11-13-28)17-5-2-4-16(14-17)21(22,23)24/h2,4-5,7-8,14,18H,3,6,9-13,15H2,1H3
InChIKeyAOYIDDZUHJFTQH-UHFFFAOYSA-N
MW421.47 g/mol
LogP2.87
Rot. Bonds3

About (2-methylpyrazol-3-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone

(2-methylpyrazol-3-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 24818875) has the molecular formula C21H26F3N5O and a molecular weight of 421.47 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID24818875
Molecular FormulaC21H26F3N5O
Molecular Weight421.47 g/mol
Exact Mass421.21
IUPAC Name(2-methylpyrazol-3-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C21H26F3N5O/c1-26-19(7-8-25-26)20(30)29-9-3-6-18(15-29)28-12-10-27(11-13-28)17-5-2-4-16(14-17)21(22,23)24/h2,4-5,7-8,14,18H,3,6,9-13,15H2,1H3
InChIKeyAOYIDDZUHJFTQH-UHFFFAOYSA-N
XLogP2.87
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone (CID 24818875) is (2-methylpyrazol-3-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone is Cn1nccc1C(=O)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is AOYIDDZUHJFTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5O/c1-26-19(7-8-25-26)20(30)29-9-3-6-18(15-29)28-12-10-27(11-13-28)17-5-2-4-16(14-17)21(22,23)24/h2,4-5,7-8,14,18H,3,6,9-13,15H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 421.47 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 24818875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).