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

C11H12N4 — CID 114999350

IUPAC4-(1,3-dihydroisoindol-2-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1N1Cc2ccccc2C1
InChIInChI=1S/C11H12N4/c12-11-10(5-13-14-11)15-6-8-3-1-2-4-9(8)7-15/h1-5H,6-7H2,(H3,12,13,14)
InChIKeyOMFZXKOJJQJCNS-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.51
Rot. Bonds1

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

4-(1,3-dihydroisoindol-2-yl)-1H-pyrazol-5-amine (PubChem CID 114999350) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-1H-pyrazol-5-amine
PubChem CID114999350
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1N1Cc2ccccc2C1
InChIInChI=1S/C11H12N4/c12-11-10(5-13-14-11)15-6-8-3-1-2-4-9(8)7-15/h1-5H,6-7H2,(H3,12,13,14)
InChIKeyOMFZXKOJJQJCNS-UHFFFAOYSA-N
XLogP1.51
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1,3-dihydroisoindol-2-yl)-1H-pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-1H-pyrazol-5-amine (CID 114999350) is 4-(1,3-dihydroisoindol-2-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1N1Cc2ccccc2C1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-1H-pyrazol-5-amine?
The InChIKey is OMFZXKOJJQJCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c12-11-10(5-13-14-11)15-6-8-3-1-2-4-9(8)7-15/h1-5H,6-7H2,(H3,12,13,14).
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-1H-pyrazol-5-amine?
4-(1,3-dihydroisoindol-2-yl)-1H-pyrazol-5-amine has a molecular weight of 200.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 114999350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).