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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Related Compounds

1-(2H-pyrazolo[4,3-c]pyridin-3-yl)ethanol
CID 84651585
3-methoxy-4-(3-methylhexan-3-yl)pyridine
CID 154951744
1-(2H-pyrazolo[4,3-c]pyridin-3-yl)propan-2-one
CID 84655161
CID 163437713
CID 163437713
2H-pyrazolo[4,3-c]pyridin-3-ylmethanamine
CID 76847172
2-(2H-pyrazolo[4,3-c]pyridin-3-yl)ethanol
CID 84651545
3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine
CID 84682992
1-(2H-pyrazolo[4,3-c]pyridin-3-yl)cyclopropan-1-amine
CID 84766653
2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine
CID 153463443
5-methyl-2-(3-methylhexan-3-yl)pyridine
CID 170075857
3-methyl-5-(3-methylhexan-3-yl)pyridine
CID 126590839
3-[1-(3-tert-butyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-yl]-[1,2]thiazolo[3,4-c]pyridine
CID 130451782

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).