3-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

C6H9N3 — CID 91148564

IUPAC3-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESCc1n[nH]c2c1CNC2
InChIInChI=1S/C6H9N3/c1-4-5-2-7-3-6(5)9-8-4/h7H,2-3H2,1H3,(H,8,9)
InChIKeyBRIYFUKTRQTBLR-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.32
Rot. Bonds

About 3-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

3-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (PubChem CID 91148564) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 3-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name3-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
PubChem CID91148564
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name3-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESCc1n[nH]c2c1CNC2
InChIInChI=1S/C6H9N3/c1-4-5-2-7-3-6(5)9-8-4/h7H,2-3H2,1H3,(H,8,9)
InChIKeyBRIYFUKTRQTBLR-UHFFFAOYSA-N
XLogP0.32
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
CID 650797
[2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethyl]-methyl-amine
CID 6603359
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 645354
3-methyl-1H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridine
CID 71307611
N-methyl-1-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanamine dihydrochloride
CID 44236859
3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile
CID 134224699
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56716342
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine
CID 126775333
3-(trifluoromethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole
CID 50989373
3-propan-2-yl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole
CID 118489287
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 3-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (CID 91148564) is 3-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 3-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 3-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is Cc1n[nH]c2c1CNC2.
What is the InChIKey of 3-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The InChIKey is BRIYFUKTRQTBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-4-5-2-7-3-6(5)9-8-4/h7H,2-3H2,1H3,(H,8,9).
What are the key properties of 3-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
3-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole has a molecular weight of 123.16 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 91148564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).