4-butan-2-yloxy-3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine

C13H19N3O — CID 66828853

IUPAC4-butan-2-yloxy-3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine
SMILESCCC(C)Oc1nccc2n[nH]c(C(C)C)c12
InChIInChI=1S/C13H19N3O/c1-5-9(4)17-13-11-10(6-7-14-13)15-16-12(11)8(2)3/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyFFNLTWMJOKLIGH-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.26
Rot. Bonds4

About 4-butan-2-yloxy-3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine

4-butan-2-yloxy-3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine (PubChem CID 66828853) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-butan-2-yloxy-3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-butan-2-yloxy-3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine
PubChem CID66828853
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-butan-2-yloxy-3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine
SMILESCCC(C)Oc1nccc2n[nH]c(C(C)C)c12
InChIInChI=1S/C13H19N3O/c1-5-9(4)17-13-11-10(6-7-14-13)15-16-12(11)8(2)3/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyFFNLTWMJOKLIGH-UHFFFAOYSA-N
XLogP3.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine
CID 56943105
4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine
CID 46898099
4-Ethoxy-3-methyl-1h-pyrazolo[4,3-c]pyridine
CID 46912641
3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine
CID 59618824
3-methyl-4-propan-2-yloxy-2H-pyrazolo[4,3-c]pyridine
CID 59618947
4-cyclobutyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine
CID 59618953
1H-Pyrazolo[4,3-c]pyridine, 4-(cyclopentyloxy)-3-Methyl-
CID 59619022
3-methyl-4-[(3R)-oxolan-3-yl]oxy-2H-pyrazolo[4,3-c]pyridine
CID 59619145
3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 66827038
4-(oxan-4-yloxy)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine
CID 66828963
3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 66829086
4-(oxan-4-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridine
CID 68069685

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-butan-2-yloxy-3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine (CID 66828853) is 4-butan-2-yloxy-3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-butan-2-yloxy-3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-butan-2-yloxy-3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine is CCC(C)Oc1nccc2n[nH]c(C(C)C)c12.
What is the InChIKey of 4-butan-2-yloxy-3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is FFNLTWMJOKLIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-5-9(4)17-13-11-10(6-7-14-13)15-16-12(11)8(2)3/h6-9H,5H2,1-4H3,(H,15,16).
What are the key properties of 4-butan-2-yloxy-3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine?
4-butan-2-yloxy-3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 233.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 66828853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).