ethane;5-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indazole

C18H24N2 — CID 142314635

IUPACethane;5-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indazole
SMILESCC.CC(C)c1ccc(-c2ccc3c(c2)CNN3)cc1
InChIInChI=1S/C16H18N2.C2H6/c1-11(2)12-3-5-13(6-4-12)14-7-8-16-15(9-14)10-17-18-16;1-2/h3-9,11,17-18H,10H2,1-2H3;1-2H3
InChIKeyUOTHLNRXLHACKC-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.93
Rot. Bonds2

About ethane;5-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indazole

ethane;5-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indazole (PubChem CID 142314635) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethane;5-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indazole.

Molecular Properties

Compound Nameethane;5-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indazole
PubChem CID142314635
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Nameethane;5-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indazole
SMILESCC.CC(C)c1ccc(-c2ccc3c(c2)CNN3)cc1
InChIInChI=1S/C16H18N2.C2H6/c1-11(2)12-3-5-13(6-4-12)14-7-8-16-15(9-14)10-17-18-16;1-2/h3-9,11,17-18H,10H2,1-2H3;1-2H3
InChIKeyUOTHLNRXLHACKC-UHFFFAOYSA-N
XLogP4.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indazole?
The IUPAC name of ethane;5-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indazole (CID 142314635) is ethane;5-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indazole.
What is the SMILES notation for ethane;5-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indazole?
The canonical SMILES for ethane;5-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indazole is CC.CC(C)c1ccc(-c2ccc3c(c2)CNN3)cc1.
What is the InChIKey of ethane;5-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indazole?
The InChIKey is UOTHLNRXLHACKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2.C2H6/c1-11(2)12-3-5-13(6-4-12)14-7-8-16-15(9-14)10-17-18-16;1-2/h3-9,11,17-18H,10H2,1-2H3;1-2H3.
What are the key properties of ethane;5-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indazole?
ethane;5-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indazole has a molecular weight of 268.40 g/mol, XLogP of 4.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indazole is sourced from PubChem (CID 142314635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).