2,3-dihydrofuran-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C14H16F3N3O2 — CID 71926892

IUPAC2,3-dihydrofuran-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(C1=COCC1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)12-6-11(18-19-12)9-2-1-4-20(7-9)13(21)10-3-5-22-8-10/h6,8-9H,1-5,7H2,(H,18,19)
InChIKeyPOPPEZZMDYGTRT-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.44
Rot. Bonds2

About 2,3-dihydrofuran-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

2,3-dihydrofuran-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 71926892) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 2,3-dihydrofuran-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID71926892
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name2,3-dihydrofuran-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(C1=COCC1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)12-6-11(18-19-12)9-2-1-4-20(7-9)13(21)10-3-5-22-8-10/h6,8-9H,1-5,7H2,(H,18,19)
InChIKeyPOPPEZZMDYGTRT-UHFFFAOYSA-N
XLogP2.44
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydrofuran-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 71926892) is 2,3-dihydrofuran-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydrofuran-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydrofuran-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is O=C(C1=COCC1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of 2,3-dihydrofuran-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is POPPEZZMDYGTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c15-14(16,17)12-6-11(18-19-12)9-2-1-4-20(7-9)13(21)10-3-5-22-8-10/h6,8-9H,1-5,7H2,(H,18,19).
What are the key properties of 2,3-dihydrofuran-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
2,3-dihydrofuran-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 315.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 71926892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).