3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-amine

C19H20N4 — CID 16730501

IUPAC3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-amine
SMILESNc1cc2c(/C=C/c3ccccc3)n[nH]c2cc1N1CCCC1
InChIInChI=1S/C19H20N4/c20-16-12-15-17(9-8-14-6-2-1-3-7-14)21-22-18(15)13-19(16)23-10-4-5-11-23/h1-3,6-9,12-13H,4-5,10-11,20H2,(H,21,22)/b9-8+
InChIKeyLCNZVWVKIFPDPM-CMDGGOBGSA-N
MW304.40 g/mol
LogP3.92
Rot. Bonds3

About 3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-amine

3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-amine (PubChem CID 16730501) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-amine.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-amine
PubChem CID16730501
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-amine
SMILESNc1cc2c(/C=C/c3ccccc3)n[nH]c2cc1N1CCCC1
InChIInChI=1S/C19H20N4/c20-16-12-15-17(9-8-14-6-2-1-3-7-14)21-22-18(15)13-19(16)23-10-4-5-11-23/h1-3,6-9,12-13H,4-5,10-11,20H2,(H,21,22)/b9-8+
InChIKeyLCNZVWVKIFPDPM-CMDGGOBGSA-N
XLogP3.92
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-amine?
The IUPAC name of 3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-amine (CID 16730501) is 3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-amine.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-amine?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-amine is Nc1cc2c(/C=C/c3ccccc3)n[nH]c2cc1N1CCCC1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-amine?
The InChIKey is LCNZVWVKIFPDPM-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H20N4/c20-16-12-15-17(9-8-14-6-2-1-3-7-14)21-22-18(15)13-19(16)23-10-4-5-11-23/h1-3,6-9,12-13H,4-5,10-11,20H2,(H,21,22)/b9-8+.
What are the key properties of 3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-amine?
3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-amine has a molecular weight of 304.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-amine is sourced from PubChem (CID 16730501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).