3-methyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-1-ide

C7H11N2- — CID 163531394

IUPAC3-methyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-1-ide
SMILESCC1=C[N-]N2CCCC12
InChIInChI=1S/C7H11N2/c1-6-5-8-9-4-2-3-7(6)9/h5,7H,2-4H2,1H3/q-1
InChIKeyBNFBOPOVUKBKCF-UHFFFAOYSA-N
MW123.18 g/mol
LogP1.66
Rot. Bonds

About 3-methyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-1-ide

3-methyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-1-ide (PubChem CID 163531394) has the molecular formula C7H11N2- and a molecular weight of 123.18 g/mol. Its IUPAC name is 3-methyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-1-ide.

Molecular Properties

Compound Name3-methyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-1-ide
PubChem CID163531394
Molecular FormulaC7H11N2-
Molecular Weight123.18 g/mol
Exact Mass123.09
IUPAC Name3-methyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-1-ide
SMILESCC1=C[N-]N2CCCC12
InChIInChI=1S/C7H11N2/c1-6-5-8-9-4-2-3-7(6)9/h5,7H,2-4H2,1H3/q-1
InChIKeyBNFBOPOVUKBKCF-UHFFFAOYSA-N
XLogP1.66
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-2,3,7,8-tetrahydro-1H-pyrrolizine
CID 58718217
3-Methyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-7-ium
CID 153091342
1-Methyl-4-(1-methylpyrrolidin-2-yl)-2,3-dihydropyrrole
CID 85838476
2-Prop-1-en-2-ylpyrrolidin-1-amine
CID 143359251

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-1-ide?
The IUPAC name of 3-methyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-1-ide (CID 163531394) is 3-methyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-1-ide.
What is the SMILES notation for 3-methyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-1-ide?
The canonical SMILES for 3-methyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-1-ide is CC1=C[N-]N2CCCC12.
What is the InChIKey of 3-methyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-1-ide?
The InChIKey is BNFBOPOVUKBKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2/c1-6-5-8-9-4-2-3-7(6)9/h5,7H,2-4H2,1H3/q-1.
What are the key properties of 3-methyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-1-ide?
3-methyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-1-ide has a molecular weight of 123.18 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-1-ide is sourced from PubChem (CID 163531394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).