1-(2,2-difluoroethyl)-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole

C8H11F2N3 — CID 118974330

IUPAC1-(2,2-difluoroethyl)-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCN1Cc2cnn(CC(F)F)c2C1
InChIInChI=1S/C8H11F2N3/c1-12-3-6-2-11-13(5-8(9)10)7(6)4-12/h2,8H,3-5H2,1H3
InChIKeyRQOPFMQPMCQLJK-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.09
Rot. Bonds2

About 1-(2,2-difluoroethyl)-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole

1-(2,2-difluoroethyl)-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 118974330) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID118974330
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name1-(2,2-difluoroethyl)-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCN1Cc2cnn(CC(F)F)c2C1
InChIInChI=1S/C8H11F2N3/c1-12-3-6-2-11-13(5-8(9)10)7(6)4-12/h2,8H,3-5H2,1H3
InChIKeyRQOPFMQPMCQLJK-UHFFFAOYSA-N
XLogP1.09
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1H,4H,5H,6H-pyrrolo(3,4-c)pyrazole dihydrochloride
CID 54772414
[1-methyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 115015283
[4-(difluoromethyl)-1-methyl-1H-pyrazol-3-yl]methanamine
CID 121351490
1,4-Dimethyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420924
1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 2779429
1-Methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
CID 10878060
1-Ethyl-4-methyl-5-(trifluoromethyl)pyrazole
CID 20686646
4-Methyl-1-propyl-5-(trifluoromethyl)pyrazole
CID 20686656
1-Tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole
CID 20686658
1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazole
CID 21589446
3-Difluoromethyl-1,4-dimethylpyrazole
CID 22980781
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 57931331

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 118974330) is 1-(2,2-difluoroethyl)-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole is CN1Cc2cnn(CC(F)F)c2C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is RQOPFMQPMCQLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-12-3-6-2-11-13(5-8(9)10)7(6)4-12/h2,8H,3-5H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
1-(2,2-difluoroethyl)-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 187.19 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 118974330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).