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

C11H19N3 — CID 118489206

IUPAC3,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESCC(C)c1n[nH]c2c1CN(C(C)C)C2
InChIInChI=1S/C11H19N3/c1-7(2)11-9-5-14(8(3)4)6-10(9)12-13-11/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKeyORLZRXWXDNOBSU-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.26
Rot. Bonds2

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

3,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (PubChem CID 118489206) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
PubChem CID118489206
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESCC(C)c1n[nH]c2c1CN(C(C)C)C2
InChIInChI=1S/C11H19N3/c1-7(2)11-9-5-14(8(3)4)6-10(9)12-13-11/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKeyORLZRXWXDNOBSU-UHFFFAOYSA-N
XLogP2.26
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanamine dihydrochloride
CID 44236859
(2E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine
CID 50978581
(3S)-N,1-dimethyl-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine
CID 100037021
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
3-Propan-2-yl-6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 118489366
3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole
CID 118489372
3-methyl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole
CID 118491729
3-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole
CID 118491780
3,3,3-trifluoro-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one
CID 130378123
ethane;3-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole
CID 144718936
4-Fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 171531547

Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 3,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (CID 118489206) is 3,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 3,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 3,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is CC(C)c1n[nH]c2c1CN(C(C)C)C2.
What is the InChIKey of 3,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The InChIKey is ORLZRXWXDNOBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-7(2)11-9-5-14(8(3)4)6-10(9)12-13-11/h7-8H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 3,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
3,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole has a molecular weight of 193.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 118489206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).