(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone

C13H15F3N4O2 — CID 162629901

IUPAC(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone
SMILESCn1ccn2ncc(C(=O)N3CCC(OC(F)(F)F)CC3)c12
InChIInChI=1S/C13H15F3N4O2/c1-18-6-7-20-11(18)10(8-17-20)12(21)19-4-2-9(3-5-19)22-13(14,15)16/h6-9H,2-5H2,1H3
InChIKeyRXFILHLHLVGWGW-UHFFFAOYSA-N
MW316.28 g/mol
LogP1.81
Rot. Bonds2

About (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone

(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone (PubChem CID 162629901) has the molecular formula C13H15F3N4O2 and a molecular weight of 316.28 g/mol. Its IUPAC name is (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone
PubChem CID162629901
Molecular FormulaC13H15F3N4O2
Molecular Weight316.28 g/mol
Exact Mass316.11
IUPAC Name(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone
SMILESCn1ccn2ncc(C(=O)N3CCC(OC(F)(F)F)CC3)c12
InChIInChI=1S/C13H15F3N4O2/c1-18-6-7-20-11(18)10(8-17-20)12(21)19-4-2-9(3-5-19)22-13(14,15)16/h6-9H,2-5H2,1H3
InChIKeyRXFILHLHLVGWGW-UHFFFAOYSA-N
XLogP1.81
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone?
The IUPAC name of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone (CID 162629901) is (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone is Cn1ccn2ncc(C(=O)N3CCC(OC(F)(F)F)CC3)c12.
What is the InChIKey of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone?
The InChIKey is RXFILHLHLVGWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O2/c1-18-6-7-20-11(18)10(8-17-20)12(21)19-4-2-9(3-5-19)22-13(14,15)16/h6-9H,2-5H2,1H3.
What are the key properties of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone?
(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone has a molecular weight of 316.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 162629901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).