(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride

C8H15Cl2N3O — CID 50944322

IUPAC(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride
SMILESCl.Cl.Cn1nc(CO)c2c1CCNC2
InChIInChI=1S/C8H13N3O.2ClH/c1-11-8-2-3-9-4-6(8)7(5-12)10-11;;/h9,12H,2-5H2,1H3;2*1H
InChIKeyARKGTHIDYMRJTQ-UHFFFAOYSA-N
MW240.13 g/mol
LogP0.40
Rot. Bonds1

About (1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride

(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride (PubChem CID 50944322) has the molecular formula C8H15Cl2N3O and a molecular weight of 240.13 g/mol. Its IUPAC name is (1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride.

Molecular Properties

Compound Name(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride
PubChem CID50944322
Molecular FormulaC8H15Cl2N3O
Molecular Weight240.13 g/mol
Exact Mass239.06
IUPAC Name(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride
SMILESCl.Cl.Cn1nc(CO)c2c1CCNC2
InChIInChI=1S/C8H13N3O.2ClH/c1-11-8-2-3-9-4-6(8)7(5-12)10-11;;/h9,12H,2-5H2,1H3;2*1H
InChIKeyARKGTHIDYMRJTQ-UHFFFAOYSA-N
XLogP0.40
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride?
The IUPAC name of (1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride (CID 50944322) is (1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride.
What is the SMILES notation for (1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride?
The canonical SMILES for (1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride is Cl.Cl.Cn1nc(CO)c2c1CCNC2.
What is the InChIKey of (1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride?
The InChIKey is ARKGTHIDYMRJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.2ClH/c1-11-8-2-3-9-4-6(8)7(5-12)10-11;;/h9,12H,2-5H2,1H3;2*1H.
What are the key properties of (1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride?
(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride has a molecular weight of 240.13 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride is sourced from PubChem (CID 50944322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).