1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole

C8H13N3 — CID 118491671

IUPAC1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCc1nn(C)c2c1CN(C)C2
InChIInChI=1S/C8H13N3/c1-6-7-4-10(2)5-8(7)11(3)9-6/h4-5H2,1-3H3
InChIKeyJULJOILKCDADNH-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.67
Rot. Bonds

About 1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole

1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 118491671) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID118491671
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCc1nn(C)c2c1CN(C)C2
InChIInChI=1S/C8H13N3/c1-6-7-4-10(2)5-8(7)11(3)9-6/h4-5H2,1-3H3
InChIKeyJULJOILKCDADNH-UHFFFAOYSA-N
XLogP0.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butylsulfonyl-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 170244235
5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 170244407
3-(3,5-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)aniline
CID 105485921
1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine
CID 174263206
1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 75465061
1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline
CID 22161707
1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 83863026
2-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetonitrile
CID 82585678
1,3-dimethyl-4,5-dihydropyrazolo[5,4-c]pyridine
CID 90451355
3-fluoro-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 145046744
(3,4-dichlorophenyl)-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone
CID 84580795
2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 88883283

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 118491671) is 1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole is Cc1nn(C)c2c1CN(C)C2.
What is the InChIKey of 1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is JULJOILKCDADNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-7-4-10(2)5-8(7)11(3)9-6/h4-5H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 151.21 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 118491671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).