3-(3-methylhexan-3-yl)-2H-pyrazolo[4,3-c]pyridine

C13H19N3 — CID 175633404

IUPAC3-(3-methylhexan-3-yl)-2H-pyrazolo[4,3-c]pyridine
SMILESCCCC(C)(CC)c1[nH]nc2ccncc12
InChIInChI=1S/C13H19N3/c1-4-7-13(3,5-2)12-10-9-14-8-6-11(10)15-16-12/h6,8-9H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyASFUEIBKNWYDNU-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.43
Rot. Bonds4

About 3-(3-methylhexan-3-yl)-2H-pyrazolo[4,3-c]pyridine

3-(3-methylhexan-3-yl)-2H-pyrazolo[4,3-c]pyridine (PubChem CID 175633404) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-(3-methylhexan-3-yl)-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-methylhexan-3-yl)-2H-pyrazolo[4,3-c]pyridine
PubChem CID175633404
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-(3-methylhexan-3-yl)-2H-pyrazolo[4,3-c]pyridine
SMILESCCCC(C)(CC)c1[nH]nc2ccncc12
InChIInChI=1S/C13H19N3/c1-4-7-13(3,5-2)12-10-9-14-8-6-11(10)15-16-12/h6,8-9H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyASFUEIBKNWYDNU-UHFFFAOYSA-N
XLogP3.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylhexan-3-yl)-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-methylhexan-3-yl)-2H-pyrazolo[4,3-c]pyridine (CID 175633404) is 3-(3-methylhexan-3-yl)-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-methylhexan-3-yl)-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-methylhexan-3-yl)-2H-pyrazolo[4,3-c]pyridine is CCCC(C)(CC)c1[nH]nc2ccncc12.
What is the InChIKey of 3-(3-methylhexan-3-yl)-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is ASFUEIBKNWYDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-7-13(3,5-2)12-10-9-14-8-6-11(10)15-16-12/h6,8-9H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of 3-(3-methylhexan-3-yl)-2H-pyrazolo[4,3-c]pyridine?
3-(3-methylhexan-3-yl)-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 217.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylhexan-3-yl)-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 175633404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).