4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen

C10H21N3 — CID 176992288

IUPAC4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen
SMILESCC(C)c1n[nH]c2c1C(C)CNC2.[H][H].[H][H]
InChIInChI=1S/C10H17N3.2H2/c1-6(2)10-9-7(3)4-11-5-8(9)12-13-10;;/h6-7,11H,4-5H2,1-3H3,(H,12,13);2*1H
InChIKeyBKXPQQFMASXRIC-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.23
Rot. Bonds1

About 4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen

4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen (PubChem CID 176992288) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen
PubChem CID176992288
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen
SMILESCC(C)c1n[nH]c2c1C(C)CNC2.[H][H].[H][H]
InChIInChI=1S/C10H17N3.2H2/c1-6(2)10-9-7(3)4-11-5-8(9)12-13-10;;/h6-7,11H,4-5H2,1-3H3,(H,12,13);2*1H
InChIKeyBKXPQQFMASXRIC-UHFFFAOYSA-N
XLogP2.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen?
The IUPAC name of 4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen (CID 176992288) is 4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen.
What is the SMILES notation for 4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen?
The canonical SMILES for 4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen is CC(C)c1n[nH]c2c1C(C)CNC2.[H][H].[H][H].
What is the InChIKey of 4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen?
The InChIKey is BKXPQQFMASXRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.2H2/c1-6(2)10-9-7(3)4-11-5-8(9)12-13-10;;/h6-7,11H,4-5H2,1-3H3,(H,12,13);2*1H.
What are the key properties of 4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen?
4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen has a molecular weight of 183.30 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen is sourced from PubChem (CID 176992288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).