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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Related Compounds

4-ethyl-1,2-dihydropyrazolo[4,3-b]indol-3-one
CID 168942784
1,2-diethylindole-3-carbonitrile
CID 22689233
1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one
CID 86575799
21-ethyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 20520657
5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile
CID 12628421
2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 118404976
2-cyclopropyl-1-ethylindole-3-carbonitrile
CID 22689235
4,27-diethyl-4,27-diazaheptacyclo[15.11.0.02,14.03,11.05,10.020,28.021,26]octacosa-1(17),2(14),3(11),5,7,9,12,15,18,20(28),21,23,25-tridecaene
CID 177442338
1-bromo-9-ethylcarbazole
CID 19736997
12-ethyl-11-methylindolo[2,3-a]carbazole
CID 90350910
2,5-bis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 139204592
9H-carbazole;9-ethylcarbazole
CID 159391034

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).