(3-ethyl-1,2-dihydroindeno[1,2-c]pyrazol-4-yl)diazene

C12H12N4 — CID 517909

IUPAC(3-ethyl-1,2-dihydroindeno[1,2-c]pyrazol-4-yl)diazene
SMILES[H]/N=N/c1c2c(CC)[nH][nH]c-2c2ccccc12
InChIInChI=1S/C12H12N4/c1-2-9-10-11(14-13)7-5-3-4-6-8(7)12(10)16-15-9/h3-6,13,15-16H,2H2,1H3/b14-13+
InChIKeyXSLRQVPUAGDXDV-BUHFOSPRSA-N
MW212.26 g/mol
LogP3.83
Rot. Bonds2

About (3-ethyl-1,2-dihydroindeno[1,2-c]pyrazol-4-yl)diazene

(3-ethyl-1,2-dihydroindeno[1,2-c]pyrazol-4-yl)diazene (PubChem CID 517909) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is (3-ethyl-1,2-dihydroindeno[1,2-c]pyrazol-4-yl)diazene.

Molecular Properties

Compound Name(3-ethyl-1,2-dihydroindeno[1,2-c]pyrazol-4-yl)diazene
PubChem CID517909
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name(3-ethyl-1,2-dihydroindeno[1,2-c]pyrazol-4-yl)diazene
SMILES[H]/N=N/c1c2c(CC)[nH][nH]c-2c2ccccc12
InChIInChI=1S/C12H12N4/c1-2-9-10-11(14-13)7-5-3-4-6-8(7)12(10)16-15-9/h3-6,13,15-16H,2H2,1H3/b14-13+
InChIKeyXSLRQVPUAGDXDV-BUHFOSPRSA-N
XLogP3.83
TPSA67.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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3-ethyl-2H-indazole;molecular hydrogen
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2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione
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7-ethyl-1,2-benzoxazol-3-one
CID 125425410
3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione
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phenyldiazene;pyrimidine
CID 157336996

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2-dihydroindeno[1,2-c]pyrazol-4-yl)diazene?
The IUPAC name of (3-ethyl-1,2-dihydroindeno[1,2-c]pyrazol-4-yl)diazene (CID 517909) is (3-ethyl-1,2-dihydroindeno[1,2-c]pyrazol-4-yl)diazene.
What is the SMILES notation for (3-ethyl-1,2-dihydroindeno[1,2-c]pyrazol-4-yl)diazene?
The canonical SMILES for (3-ethyl-1,2-dihydroindeno[1,2-c]pyrazol-4-yl)diazene is [H]/N=N/c1c2c(CC)[nH][nH]c-2c2ccccc12.
What is the InChIKey of (3-ethyl-1,2-dihydroindeno[1,2-c]pyrazol-4-yl)diazene?
The InChIKey is XSLRQVPUAGDXDV-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-9-10-11(14-13)7-5-3-4-6-8(7)12(10)16-15-9/h3-6,13,15-16H,2H2,1H3/b14-13+.
What are the key properties of (3-ethyl-1,2-dihydroindeno[1,2-c]pyrazol-4-yl)diazene?
(3-ethyl-1,2-dihydroindeno[1,2-c]pyrazol-4-yl)diazene has a molecular weight of 212.26 g/mol, XLogP of 3.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2-dihydroindeno[1,2-c]pyrazol-4-yl)diazene is sourced from PubChem (CID 517909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).