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

C10H14F3N3 — CID 71204665

IUPAC5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1CN(C)C2
InChIInChI=1S/C10H14F3N3/c1-6(2)16-8-5-15(3)4-7(8)9(14-16)10(11,12)13/h6H,4-5H2,1-3H3
InChIKeyDWKUGECIOAPCTL-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.43
Rot. Bonds1

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

5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 71204665) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID71204665
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1CN(C)C2
InChIInChI=1S/C10H14F3N3/c1-6(2)16-8-5-15(3)4-7(8)9(14-16)10(11,12)13/h6H,4-5H2,1-3H3
InChIKeyDWKUGECIOAPCTL-UHFFFAOYSA-N
XLogP2.43
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 71204665) is 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole is CC(C)n1nc(C(F)(F)F)c2c1CN(C)C2.
What is the InChIKey of 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is DWKUGECIOAPCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-6(2)16-8-5-15(3)4-7(8)9(14-16)10(11,12)13/h6H,4-5H2,1-3H3.
What are the key properties of 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 233.24 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 71204665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).