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

C13H17N3O — CID 66828866

IUPAC4-butan-2-yloxy-3-cyclopropyl-2H-pyrazolo[4,3-c]pyridine
SMILESCCC(C)Oc1nccc2n[nH]c(C3CC3)c12
InChIInChI=1S/C13H17N3O/c1-3-8(2)17-13-11-10(6-7-14-13)15-16-12(11)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,15,16)
InChIKeyZVRBCNZRHUJABS-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.01
Rot. Bonds4

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

4-butan-2-yloxy-3-cyclopropyl-2H-pyrazolo[4,3-c]pyridine (PubChem CID 66828866) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-butan-2-yloxy-3-cyclopropyl-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-butan-2-yloxy-3-cyclopropyl-2H-pyrazolo[4,3-c]pyridine
PubChem CID66828866
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-butan-2-yloxy-3-cyclopropyl-2H-pyrazolo[4,3-c]pyridine
SMILESCCC(C)Oc1nccc2n[nH]c(C3CC3)c12
InChIInChI=1S/C13H17N3O/c1-3-8(2)17-13-11-10(6-7-14-13)15-16-12(11)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,15,16)
InChIKeyZVRBCNZRHUJABS-UHFFFAOYSA-N
XLogP3.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-3-cyclopropyl-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-butan-2-yloxy-3-cyclopropyl-2H-pyrazolo[4,3-c]pyridine (CID 66828866) is 4-butan-2-yloxy-3-cyclopropyl-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-butan-2-yloxy-3-cyclopropyl-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-butan-2-yloxy-3-cyclopropyl-2H-pyrazolo[4,3-c]pyridine is CCC(C)Oc1nccc2n[nH]c(C3CC3)c12.
What is the InChIKey of 4-butan-2-yloxy-3-cyclopropyl-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is ZVRBCNZRHUJABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-8(2)17-13-11-10(6-7-14-13)15-16-12(11)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4-butan-2-yloxy-3-cyclopropyl-2H-pyrazolo[4,3-c]pyridine?
4-butan-2-yloxy-3-cyclopropyl-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 231.30 g/mol, XLogP of 3.01, 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-cyclopropyl-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 66828866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).