3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride

C6H7ClF3N3 — CID 54772410

IUPAC3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride
SMILESCl.FC(F)(F)c1n[nH]c2c1CNC2
InChIInChI=1S/C6H6F3N3.ClH/c7-6(8,9)5-3-1-10-2-4(3)11-12-5;/h10H,1-2H2,(H,11,12);1H
InChIKeyCCNKEFUANQXUIL-UHFFFAOYSA-N
MW213.59 g/mol
LogP1.45
Rot. Bonds

About 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride

3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride (PubChem CID 54772410) has the molecular formula C6H7ClF3N3 and a molecular weight of 213.59 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride
PubChem CID54772410
Molecular FormulaC6H7ClF3N3
Molecular Weight213.59 g/mol
Exact Mass213.03
IUPAC Name3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride
SMILESCl.FC(F)(F)c1n[nH]c2c1CNC2
InChIInChI=1S/C6H6F3N3.ClH/c7-6(8,9)5-3-1-10-2-4(3)11-12-5;/h10H,1-2H2,(H,11,12);1H
InChIKeyCCNKEFUANQXUIL-UHFFFAOYSA-N
XLogP1.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
CID 91926999
3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 83845508
(6S)-6-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 170413494
5-methylsulfanyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 170413493
4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 139425187
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine
CID 71440199
azetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone
CID 166231920
tert-butyl 3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 50992799
3-(trifluoromethyl)-1,5,6,7-tetrahydroindazol-4-one
CID 66672245
4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride
CID 91926995
3-benzyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 112710449
3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
CID 84670415

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride?
The IUPAC name of 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride (CID 54772410) is 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride?
The canonical SMILES for 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride is Cl.FC(F)(F)c1n[nH]c2c1CNC2.
What is the InChIKey of 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride?
The InChIKey is CCNKEFUANQXUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3.ClH/c7-6(8,9)5-3-1-10-2-4(3)11-12-5;/h10H,1-2H2,(H,11,12);1H.
What are the key properties of 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride?
3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride has a molecular weight of 213.59 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride is sourced from PubChem (CID 54772410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).