1-(oxan-2-yl)-4H-pyrazolo[4,5-b]indole

C14H15N3O — CID 137243336

IUPAC1-(oxan-2-yl)-4H-pyrazolo[4,5-b]indole
SMILESc1ccc2c(c1)[nH]c1cnn(C3CCCCO3)c12
InChIInChI=1S/C14H15N3O/c1-2-6-11-10(5-1)14-12(16-11)9-15-17(14)13-7-3-4-8-18-13/h1-2,5-6,9,13,16H,3-4,7-8H2
InChIKeyALHUCTNQUKJTLS-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.22
Rot. Bonds1

About 1-(oxan-2-yl)-4H-pyrazolo[4,5-b]indole

1-(oxan-2-yl)-4H-pyrazolo[4,5-b]indole (PubChem CID 137243336) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(oxan-2-yl)-4H-pyrazolo[4,5-b]indole.

Molecular Properties

Compound Name1-(oxan-2-yl)-4H-pyrazolo[4,5-b]indole
PubChem CID137243336
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(oxan-2-yl)-4H-pyrazolo[4,5-b]indole
SMILESc1ccc2c(c1)[nH]c1cnn(C3CCCCO3)c12
InChIInChI=1S/C14H15N3O/c1-2-6-11-10(5-1)14-12(16-11)9-15-17(14)13-7-3-4-8-18-13/h1-2,5-6,9,13,16H,3-4,7-8H2
InChIKeyALHUCTNQUKJTLS-UHFFFAOYSA-N
XLogP3.22
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-4H-pyrazolo[4,5-b]indole?
The IUPAC name of 1-(oxan-2-yl)-4H-pyrazolo[4,5-b]indole (CID 137243336) is 1-(oxan-2-yl)-4H-pyrazolo[4,5-b]indole.
What is the SMILES notation for 1-(oxan-2-yl)-4H-pyrazolo[4,5-b]indole?
The canonical SMILES for 1-(oxan-2-yl)-4H-pyrazolo[4,5-b]indole is c1ccc2c(c1)[nH]c1cnn(C3CCCCO3)c12.
What is the InChIKey of 1-(oxan-2-yl)-4H-pyrazolo[4,5-b]indole?
The InChIKey is ALHUCTNQUKJTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-6-11-10(5-1)14-12(16-11)9-15-17(14)13-7-3-4-8-18-13/h1-2,5-6,9,13,16H,3-4,7-8H2.
What are the key properties of 1-(oxan-2-yl)-4H-pyrazolo[4,5-b]indole?
1-(oxan-2-yl)-4H-pyrazolo[4,5-b]indole has a molecular weight of 241.29 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-4H-pyrazolo[4,5-b]indole is sourced from PubChem (CID 137243336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).