3,6-dimethyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine

C8H11N3 — CID 175679326

IUPAC3,6-dimethyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine
SMILESCC1=CCc2c(n[nH]c2C)N1
InChIInChI=1S/C8H11N3/c1-5-3-4-7-6(2)10-11-8(7)9-5/h3H,4H2,1-2H3,(H2,9,10,11)
InChIKeyMLUQLBUJSBUHSX-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.59
Rot. Bonds

About 3,6-dimethyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine

3,6-dimethyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine (PubChem CID 175679326) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3,6-dimethyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3,6-dimethyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine
PubChem CID175679326
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3,6-dimethyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine
SMILESCC1=CCc2c(n[nH]c2C)N1
InChIInChI=1S/C8H11N3/c1-5-3-4-7-6(2)10-11-8(7)9-5/h3H,4H2,1-2H3,(H2,9,10,11)
InChIKeyMLUQLBUJSBUHSX-UHFFFAOYSA-N
XLogP1.59
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dimethyl-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135538831
N-(tert-Butyl)-3-methyl-1H-pyrazol-5-amine
CID 21106513
N-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine
CID 63048866
N,5-ditert-butyl-1H-pyrazol-3-amine
CID 63049017
N-tert-butyl-5-prop-2-enyl-1H-pyrazol-3-amine
CID 66750164
N,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine
CID 91593618
5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine
CID 137156149
5-tert-butyl-N-prop-1-en-2-yl-1H-pyrazol-3-amine;ethane
CID 145364890
4-ethyl-N,N,5-trimethyl-1H-pyrazol-3-amine
CID 146478393
N,5-dimethyl-4-propan-2-yl-1H-pyrazol-3-amine
CID 151203571
N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)-4,5-dimethyl-1H-pyrazol-3-amine
CID 163791219
6-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyl-1,2-dihydropyridin-4-amine
CID 163983015

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3,6-dimethyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine (CID 175679326) is 3,6-dimethyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3,6-dimethyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3,6-dimethyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine is CC1=CCc2c(n[nH]c2C)N1.
What is the InChIKey of 3,6-dimethyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is MLUQLBUJSBUHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-5-3-4-7-6(2)10-11-8(7)9-5/h3H,4H2,1-2H3,(H2,9,10,11).
What are the key properties of 3,6-dimethyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine?
3,6-dimethyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 149.20 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 175679326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).