2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine

C12H13N3 — CID 16793666

IUPAC2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine
SMILESNc1ccnn1C1CCc2ccccc21
InChIInChI=1S/C12H13N3/c13-12-7-8-14-15(12)11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11H,5-6,13H2
InChIKeyKAGABRYDYDQUAZ-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.00
Rot. Bonds1

About 2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine

2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine (PubChem CID 16793666) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine
PubChem CID16793666
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine
SMILESNc1ccnn1C1CCc2ccccc21
InChIInChI=1S/C12H13N3/c13-12-7-8-14-15(12)11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11H,5-6,13H2
InChIKeyKAGABRYDYDQUAZ-UHFFFAOYSA-N
XLogP2.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine (CID 16793666) is 2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine is Nc1ccnn1C1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine?
The InChIKey is KAGABRYDYDQUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-12-7-8-14-15(12)11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11H,5-6,13H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine?
2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine has a molecular weight of 199.26 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine is sourced from PubChem (CID 16793666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).