3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

C11H16F3N3 — CID 118489372

IUPAC3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESCC(C)c1n[nH]c2c1CN(CCC(F)(F)F)C2
InChIInChI=1S/C11H16F3N3/c1-7(2)10-8-5-17(4-3-11(12,13)14)6-9(8)15-16-10/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyNMRHOYQEHWPBLL-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.80
Rot. Bonds3

About 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (PubChem CID 118489372) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
PubChem CID118489372
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESCC(C)c1n[nH]c2c1CN(CCC(F)(F)F)C2
InChIInChI=1S/C11H16F3N3/c1-7(2)10-8-5-17(4-3-11(12,13)14)6-9(8)15-16-10/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyNMRHOYQEHWPBLL-UHFFFAOYSA-N
XLogP2.80
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole with MolForge

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Related Compounds

N-methyl-1-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanamine dihydrochloride
CID 44236859
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 50979543
(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 95225503
3-(trifluoromethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole
CID 50989373
5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 57362245
5-Ethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 68029788
3-(1-Fluoroethyl)-6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 68383779
3-(1,1-Difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 90162113
5-Propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 90162224
3-Propan-2-yl-5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118489263
3-propan-2-yl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole
CID 118489287
3-Propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 118489305

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (CID 118489372) is 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is CC(C)c1n[nH]c2c1CN(CCC(F)(F)F)C2.
What is the InChIKey of 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The InChIKey is NMRHOYQEHWPBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7(2)10-8-5-17(4-3-11(12,13)14)6-9(8)15-16-10/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole has a molecular weight of 247.26 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 118489372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).