2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

C15H20F3N3O2 — CID 71926896

IUPAC2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(COCC1CC1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)13-6-12(19-20-13)11-2-1-5-21(7-11)14(22)9-23-8-10-3-4-10/h6,10-11H,1-5,7-9H2,(H,19,20)
InChIKeyVTTYPDFCIUSVRJ-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.56
Rot. Bonds5

About 2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 71926896) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID71926896
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(COCC1CC1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)13-6-12(19-20-13)11-2-1-5-21(7-11)14(22)9-23-8-10-3-4-10/h6,10-11H,1-5,7-9H2,(H,19,20)
InChIKeyVTTYPDFCIUSVRJ-UHFFFAOYSA-N
XLogP2.56
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 71926905
2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110269011
4-(3-isopropyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropanoyl)piperidine
CID 56718824
3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]oxolan-2-one
CID 72121345
(3S)-1-[2-(cyclopropylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 96514126
2,3-dihydrofuran-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 71926892
2-cyclopentyloxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 71926894
1,4-dioxan-2-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 71926898
1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 71927080
1-[2-(cyclopropylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 71927082
1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 71927086
cyclopentyl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 72121226

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 71926896) is 2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is O=C(COCC1CC1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is VTTYPDFCIUSVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c16-15(17,18)13-6-12(19-20-13)11-2-1-5-21(7-11)14(22)9-23-8-10-3-4-10/h6,10-11H,1-5,7-9H2,(H,19,20).
What are the key properties of 2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 331.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71926896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).