5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole

C20H20N2 — CID 139563240

IUPAC5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole
SMILESC=C(CCC(=C)c1ccccc1C)c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H20N2/c1-14(17-10-11-20-18(12-17)13-21-22-20)8-9-16(3)19-7-5-4-6-15(19)2/h4-7,10-13H,1,3,8-9H2,2H3,(H,21,22)
InChIKeyWCTXVSLFOIMECW-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.38
Rot. Bonds5

About 5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole

5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole (PubChem CID 139563240) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole.

Molecular Properties

Compound Name5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole
PubChem CID139563240
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole
SMILESC=C(CCC(=C)c1ccccc1C)c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H20N2/c1-14(17-10-11-20-18(12-17)13-21-22-20)8-9-16(3)19-7-5-4-6-15(19)2/h4-7,10-13H,1,3,8-9H2,2H3,(H,21,22)
InChIKeyWCTXVSLFOIMECW-UHFFFAOYSA-N
XLogP5.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole
CID 139563365
5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole
CID 139563228
5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole
CID 139563370
6-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-3H-indole
CID 139563239
N-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide
CID 110485449
1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-5-yl)butane-1,4-dione
CID 90371204
7-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene
CID 139563174
(NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine
CID 87086002
5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole
CID 141327801
(Z)-3-(1H-indazol-5-yl)-2-(2-methylbenzoyl)prop-2-enenitrile
CID 167961084
4-(2-methylphenyl)pent-4-enamide
CID 146545634
N-methyl-1H-indazole-5-carboxamide
CID 22934041

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole?
The IUPAC name of 5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole (CID 139563240) is 5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole.
What is the SMILES notation for 5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole?
The canonical SMILES for 5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole is C=C(CCC(=C)c1ccccc1C)c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole?
The InChIKey is WCTXVSLFOIMECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-14(17-10-11-20-18(12-17)13-21-22-20)8-9-16(3)19-7-5-4-6-15(19)2/h4-7,10-13H,1,3,8-9H2,2H3,(H,21,22).
What are the key properties of 5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole?
5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole has a molecular weight of 288.39 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole is sourced from PubChem (CID 139563240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).