1-(2-prop-2-enylphenyl)indazole

C16H14N2 — CID 102233917

IUPAC1-(2-prop-2-enylphenyl)indazole
SMILESC=CCc1ccccc1-n1ncc2ccccc21
InChIInChI=1S/C16H14N2/c1-2-7-13-8-3-5-10-15(13)18-16-11-6-4-9-14(16)12-17-18/h2-6,8-12H,1,7H2
InChIKeyNRMFSPBNPNYQQZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.75
Rot. Bonds3

About 1-(2-prop-2-enylphenyl)indazole

1-(2-prop-2-enylphenyl)indazole (PubChem CID 102233917) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2-prop-2-enylphenyl)indazole.

Molecular Properties

Compound Name1-(2-prop-2-enylphenyl)indazole
PubChem CID102233917
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name1-(2-prop-2-enylphenyl)indazole
SMILESC=CCc1ccccc1-n1ncc2ccccc21
InChIInChI=1S/C16H14N2/c1-2-7-13-8-3-5-10-15(13)18-16-11-6-4-9-14(16)12-17-18/h2-6,8-12H,1,7H2
InChIKeyNRMFSPBNPNYQQZ-UHFFFAOYSA-N
XLogP3.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine
CID 62141700
N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine
CID 62141701
6-indazol-1-yl-N-prop-2-enyl-1,2,4,5-tetrazin-3-amine
CID 142770808
(2-fluoro-6-indazol-1-ylphenyl)methanamine
CID 79517639
1-(2-indazol-1-ylphenyl)ethanamine
CID 62139804
1-(2-indazol-1-ylphenyl)ethanone
CID 15712135
N-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine
CID 81255177
(2-indazol-1-yl-3-pyridinyl)methanol
CID 62140582
2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide
CID 76945039
3-indazol-1-yl-2-methylbenzoic acid
CID 19744370
3-bromo-4-indazol-1-ylaniline
CID 62140535
2,4-difluoro-6-indazol-1-ylaniline
CID 115507215

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enylphenyl)indazole?
The IUPAC name of 1-(2-prop-2-enylphenyl)indazole (CID 102233917) is 1-(2-prop-2-enylphenyl)indazole.
What is the SMILES notation for 1-(2-prop-2-enylphenyl)indazole?
The canonical SMILES for 1-(2-prop-2-enylphenyl)indazole is C=CCc1ccccc1-n1ncc2ccccc21.
What is the InChIKey of 1-(2-prop-2-enylphenyl)indazole?
The InChIKey is NRMFSPBNPNYQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-2-7-13-8-3-5-10-15(13)18-16-11-6-4-9-14(16)12-17-18/h2-6,8-12H,1,7H2.
What are the key properties of 1-(2-prop-2-enylphenyl)indazole?
1-(2-prop-2-enylphenyl)indazole has a molecular weight of 234.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enylphenyl)indazole is sourced from PubChem (CID 102233917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).