1-[[4-(fluoromethyl)cyclohexyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide

C15H20F4N4O — CID 161443651

IUPAC1-[[4-(fluoromethyl)cyclohexyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)nn2c1N(CC1CCC(CF)CC1)CC2
InChIInChI=1S/C15H20F4N4O/c16-7-9-1-3-10(4-2-9)8-22-5-6-23-14(22)11(13(20)24)12(21-23)15(17,18)19/h9-10H,1-8H2,(H2,20,24)
InChIKeyVZPORMYOQZODES-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.60
Rot. Bonds4

About 1-[[4-(fluoromethyl)cyclohexyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide

1-[[4-(fluoromethyl)cyclohexyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 161443651) has the molecular formula C15H20F4N4O and a molecular weight of 348.34 g/mol. Its IUPAC name is 1-[[4-(fluoromethyl)cyclohexyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound Name1-[[4-(fluoromethyl)cyclohexyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID161443651
Molecular FormulaC15H20F4N4O
Molecular Weight348.34 g/mol
Exact Mass348.16
IUPAC Name1-[[4-(fluoromethyl)cyclohexyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)nn2c1N(CC1CCC(CF)CC1)CC2
InChIInChI=1S/C15H20F4N4O/c16-7-9-1-3-10(4-2-9)8-22-5-6-23-14(22)11(13(20)24)12(21-23)15(17,18)19/h9-10H,1-8H2,(H2,20,24)
InChIKeyVZPORMYOQZODES-UHFFFAOYSA-N
XLogP2.60
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(fluoromethyl)cyclohexyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of 1-[[4-(fluoromethyl)cyclohexyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide (CID 161443651) is 1-[[4-(fluoromethyl)cyclohexyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for 1-[[4-(fluoromethyl)cyclohexyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for 1-[[4-(fluoromethyl)cyclohexyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide is NC(=O)c1c(C(F)(F)F)nn2c1N(CC1CCC(CF)CC1)CC2.
What is the InChIKey of 1-[[4-(fluoromethyl)cyclohexyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is VZPORMYOQZODES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N4O/c16-7-9-1-3-10(4-2-9)8-22-5-6-23-14(22)11(13(20)24)12(21-23)15(17,18)19/h9-10H,1-8H2,(H2,20,24).
What are the key properties of 1-[[4-(fluoromethyl)cyclohexyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
1-[[4-(fluoromethyl)cyclohexyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 348.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(fluoromethyl)cyclohexyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 161443651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).