3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine

C19H21N3 — CID 143463805

IUPAC3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine
SMILESCCc1cccc(/C=C/c2n[nH]c3cc(C)c(NC)cc23)c1
InChIInChI=1S/C19H21N3/c1-4-14-6-5-7-15(11-14)8-9-17-16-12-18(20-3)13(2)10-19(16)22-21-17/h5-12,20H,4H2,1-3H3,(H,21,22)/b9-8+
InChIKeyOCPCTEHOLTYORB-CMDGGOBGSA-N
MW291.40 g/mol
LogP4.65
Rot. Bonds4

About 3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine

3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine (PubChem CID 143463805) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine.

Molecular Properties

Compound Name3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine
PubChem CID143463805
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine
SMILESCCc1cccc(/C=C/c2n[nH]c3cc(C)c(NC)cc23)c1
InChIInChI=1S/C19H21N3/c1-4-14-6-5-7-15(11-14)8-9-17-16-12-18(20-3)13(2)10-19(16)22-21-17/h5-12,20H,4H2,1-3H3,(H,21,22)/b9-8+
InChIKeyOCPCTEHOLTYORB-CMDGGOBGSA-N
XLogP4.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine?
The IUPAC name of 3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine (CID 143463805) is 3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine.
What is the SMILES notation for 3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine?
The canonical SMILES for 3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine is CCc1cccc(/C=C/c2n[nH]c3cc(C)c(NC)cc23)c1.
What is the InChIKey of 3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine?
The InChIKey is OCPCTEHOLTYORB-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H21N3/c1-4-14-6-5-7-15(11-14)8-9-17-16-12-18(20-3)13(2)10-19(16)22-21-17/h5-12,20H,4H2,1-3H3,(H,21,22)/b9-8+.
What are the key properties of 3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine?
3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine has a molecular weight of 291.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine is sourced from PubChem (CID 143463805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).