5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine

C13H16N4 — CID 55049999

IUPAC5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(N2Cc3ccccc3C2)c1N
InChIInChI=1S/C13H16N4/c1-9-12(14)13(16(2)15-9)17-7-10-5-3-4-6-11(10)8-17/h3-6H,7-8,14H2,1-2H3
InChIKeyRAQNZSAVTNUMJC-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.83
Rot. Bonds1

About 5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine

5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine (PubChem CID 55049999) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine
PubChem CID55049999
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(N2Cc3ccccc3C2)c1N
InChIInChI=1S/C13H16N4/c1-9-12(14)13(16(2)15-9)17-7-10-5-3-4-6-11(10)8-17/h3-6H,7-8,14H2,1-2H3
InChIKeyRAQNZSAVTNUMJC-UHFFFAOYSA-N
XLogP1.83
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine (CID 55049999) is 5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(N2Cc3ccccc3C2)c1N.
What is the InChIKey of 5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is RAQNZSAVTNUMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-12(14)13(16(2)15-9)17-7-10-5-3-4-6-11(10)8-17/h3-6H,7-8,14H2,1-2H3.
What are the key properties of 5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine?
5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 228.30 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 55049999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).