1-fluoro-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide

C7H6F4N4O — CID 129047562

IUPAC1-fluoro-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)nn2c1N(F)CC2
InChIInChI=1S/C7H6F4N4O/c8-7(9,10)4-3(5(12)16)6-14(11)1-2-15(6)13-4/h1-2H2,(H2,12,16)
InChIKeyBFTWDFZYAZXUAJ-UHFFFAOYSA-N
MW238.14 g/mol
LogP0.71
Rot. Bonds1

About 1-fluoro-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide

1-fluoro-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 129047562) has the molecular formula C7H6F4N4O and a molecular weight of 238.14 g/mol. Its IUPAC name is 1-fluoro-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound Name1-fluoro-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID129047562
Molecular FormulaC7H6F4N4O
Molecular Weight238.14 g/mol
Exact Mass238.05
IUPAC Name1-fluoro-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)nn2c1N(F)CC2
InChIInChI=1S/C7H6F4N4O/c8-7(9,10)4-3(5(12)16)6-14(11)1-2-15(6)13-4/h1-2H2,(H2,12,16)
InChIKeyBFTWDFZYAZXUAJ-UHFFFAOYSA-N
XLogP0.71
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-b]pyrazole-7-carbaldehyde
CID 137179077
6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 138705362
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
5-[Ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide
CID 55242488
1,3-Dimethyl-5-[methyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide
CID 63756134
1,3-Dimethyl-5-[propyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide
CID 63756309
1,3-Dimethyl-5-(pyrrolidin-3-ylamino)pyrazole-4-carboxamide
CID 63758386
1,3-Dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pyrazole-4-carboxamide
CID 113282108
5-(3-Amino-4-methylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 113832700
1,3-Dimethyl-5-[(3-methylpyrrolidin-3-yl)amino]pyrazole-4-carboxamide
CID 113957720

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of 1-fluoro-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide (CID 129047562) is 1-fluoro-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for 1-fluoro-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for 1-fluoro-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide is NC(=O)c1c(C(F)(F)F)nn2c1N(F)CC2.
What is the InChIKey of 1-fluoro-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is BFTWDFZYAZXUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N4O/c8-7(9,10)4-3(5(12)16)6-14(11)1-2-15(6)13-4/h1-2H2,(H2,12,16).
What are the key properties of 1-fluoro-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
1-fluoro-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 238.14 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 129047562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).