ethane;3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine

C10H19N3 — CID 145188110

IUPACethane;3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine
SMILESCC.CCc1[nH]nc2c1CCCN2
InChIInChI=1S/C8H13N3.C2H6/c1-2-7-6-4-3-5-9-8(6)11-10-7;1-2/h2-5H2,1H3,(H2,9,10,11);1-2H3
InChIKeySXGGAXOYWIRZCK-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.36
Rot. Bonds1

About ethane;3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine

ethane;3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine (PubChem CID 145188110) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Nameethane;3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine
PubChem CID145188110
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Nameethane;3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine
SMILESCC.CCc1[nH]nc2c1CCCN2
InChIInChI=1S/C8H13N3.C2H6/c1-2-7-6-4-3-5-9-8(6)11-10-7;1-2/h2-5H2,1H3,(H2,9,10,11);1-2H3
InChIKeySXGGAXOYWIRZCK-UHFFFAOYSA-N
XLogP2.36
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridine
CID 136308590
1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-amine dihydrochloride
CID 75485650
1,3-dimethyl-1H,4H,5H,6H,7H-pyrazolo(3,4-b)pyridin-5-amine dihydrochloride
CID 137248458
5-ethyl-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine
CID 97797604
1,3-Dimethyl-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-5-amine
CID 135833149
7-Methyl-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine
CID 69920224
N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine
CID 70435083
N-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 64754303
N-ethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 64754304
N-propyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 64754305
N-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 64754306
N-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 64754307

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of ethane;3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine (CID 145188110) is ethane;3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for ethane;3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for ethane;3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine is CC.CCc1[nH]nc2c1CCCN2.
What is the InChIKey of ethane;3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is SXGGAXOYWIRZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.C2H6/c1-2-7-6-4-3-5-9-8(6)11-10-7;1-2/h2-5H2,1H3,(H2,9,10,11);1-2H3.
What are the key properties of ethane;3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine?
ethane;3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 181.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 145188110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).