[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

C19H20F3N3O2 — CID 45197757

IUPAC[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCCn1cc(C(=O)N2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C19H20F3N3O2/c1-2-25-12-15(10-23-25)18(27)24-8-4-6-14(11-24)17(26)13-5-3-7-16(9-13)19(20,21)22/h3,5,7,9-10,12,14H,2,4,6,8,11H2,1H3
InChIKeyCMEYTMOTCWEVFN-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.66
Rot. Bonds4

About [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 45197757) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID45197757
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCCn1cc(C(=O)N2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C19H20F3N3O2/c1-2-25-12-15(10-23-25)18(27)24-8-4-6-14(11-24)17(26)13-5-3-7-16(9-13)19(20,21)22/h3,5,7,9-10,12,14H,2,4,6,8,11H2,1H3
InChIKeyCMEYTMOTCWEVFN-UHFFFAOYSA-N
XLogP3.66
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 45197757) is [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is CCn1cc(C(=O)N2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)cn1.
What is the InChIKey of [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is CMEYTMOTCWEVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-2-25-12-15(10-23-25)18(27)24-8-4-6-14(11-24)17(26)13-5-3-7-16(9-13)19(20,21)22/h3,5,7,9-10,12,14H,2,4,6,8,11H2,1H3.
What are the key properties of [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 379.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 45197757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).