4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile

C12H10N4 — CID 168942732

IUPAC4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile
SMILESCCn1c2ccccc2c2[nH]nc(C#N)c21
InChIInChI=1S/C12H10N4/c1-2-16-10-6-4-3-5-8(10)11-12(16)9(7-13)14-15-11/h3-6H,2H2,1H3,(H,14,15)
InChIKeyLZRLUMGBYBOLKS-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.41
Rot. Bonds1

About 4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile

4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile (PubChem CID 168942732) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile.

Molecular Properties

Compound Name4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile
PubChem CID168942732
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile
SMILESCCn1c2ccccc2c2[nH]nc(C#N)c21
InChIInChI=1S/C12H10N4/c1-2-16-10-6-4-3-5-8(10)11-12(16)9(7-13)14-15-11/h3-6H,2H2,1H3,(H,14,15)
InChIKeyLZRLUMGBYBOLKS-UHFFFAOYSA-N
XLogP2.41
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile?
The IUPAC name of 4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile (CID 168942732) is 4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile.
What is the SMILES notation for 4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile?
The canonical SMILES for 4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile is CCn1c2ccccc2c2[nH]nc(C#N)c21.
What is the InChIKey of 4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile?
The InChIKey is LZRLUMGBYBOLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-2-16-10-6-4-3-5-8(10)11-12(16)9(7-13)14-15-11/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile?
4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile has a molecular weight of 210.24 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile is sourced from PubChem (CID 168942732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).