6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide

C7H7F3N4O — CID 138705362

IUPAC6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)nn2c1NCC2
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)4-3(5(11)15)6-12-1-2-14(6)13-4/h12H,1-2H2,(H2,11,15)
InChIKeyIMHKDZSDZXEKFO-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.43
Rot. Bonds1

About 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide

6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 138705362) has the molecular formula C7H7F3N4O and a molecular weight of 220.15 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound Name6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID138705362
Molecular FormulaC7H7F3N4O
Molecular Weight220.15 g/mol
Exact Mass220.06
IUPAC Name6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)nn2c1NCC2
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)4-3(5(11)15)6-12-1-2-14(6)13-4/h12H,1-2H2,(H2,11,15)
InChIKeyIMHKDZSDZXEKFO-UHFFFAOYSA-N
XLogP0.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 19432842
1-Fluoro-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
CID 129047562
2-(Trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136428059
6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-b]pyrazole-7-carbaldehyde
CID 137179077
5-Amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 145463398
6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid
CID 151564674
3-ethynyl-1-[(3S,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162380826
1-[(3S,5R)-5-(difluoromethyl)pyrrolidin-3-yl]-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide
CID 164780170
1,6-dimethyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 178026709
1-[(1-aminocyclopropyl)methyl]-3-(difluoromethyl)-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 178026717
5-[(3-Amino-2,2-difluoropropyl)amino]-1,3-dimethylpyrazole-4-carboxamide
CID 113577808
1-[[4-(Fluoromethyl)cyclohexyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxamide
CID 161443651

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide (CID 138705362) is 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide is NC(=O)c1c(C(F)(F)F)nn2c1NCC2.
What is the InChIKey of 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is IMHKDZSDZXEKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O/c8-7(9,10)4-3(5(11)15)6-12-1-2-14(6)13-4/h12H,1-2H2,(H2,11,15).
What are the key properties of 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide?
6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 220.15 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 138705362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).