N-ethyl-N-[[4-(furan-2-yl)-1-(2-phenylethyl)indazol-3-yl]methyl]ethanamine

C24H27N3O — CID 174406380

IUPACN-ethyl-N-[[4-(furan-2-yl)-1-(2-phenylethyl)indazol-3-yl]methyl]ethanamine
SMILESCCN(CC)Cc1nn(CCc2ccccc2)c2cccc(-c3ccco3)c12
InChIInChI=1S/C24H27N3O/c1-3-26(4-2)18-21-24-20(23-14-9-17-28-23)12-8-13-22(24)27(25-21)16-15-19-10-6-5-7-11-19/h5-14,17H,3-4,15-16,18H2,1-2H3
InChIKeyZCQTXPMKBUIFBO-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.38
Rot. Bonds8

About N-ethyl-N-[[4-(furan-2-yl)-1-(2-phenylethyl)indazol-3-yl]methyl]ethanamine

N-ethyl-N-[[4-(furan-2-yl)-1-(2-phenylethyl)indazol-3-yl]methyl]ethanamine (PubChem CID 174406380) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-ethyl-N-[[4-(furan-2-yl)-1-(2-phenylethyl)indazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-(furan-2-yl)-1-(2-phenylethyl)indazol-3-yl]methyl]ethanamine
PubChem CID174406380
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-ethyl-N-[[4-(furan-2-yl)-1-(2-phenylethyl)indazol-3-yl]methyl]ethanamine
SMILESCCN(CC)Cc1nn(CCc2ccccc2)c2cccc(-c3ccco3)c12
InChIInChI=1S/C24H27N3O/c1-3-26(4-2)18-21-24-20(23-14-9-17-28-23)12-8-13-22(24)27(25-21)16-15-19-10-6-5-7-11-19/h5-14,17H,3-4,15-16,18H2,1-2H3
InChIKeyZCQTXPMKBUIFBO-UHFFFAOYSA-N
XLogP5.38
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-(furan-2-yl)-1-(2-phenylethyl)indazol-3-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[4-(furan-2-yl)-1-(2-phenylethyl)indazol-3-yl]methyl]ethanamine (CID 174406380) is N-ethyl-N-[[4-(furan-2-yl)-1-(2-phenylethyl)indazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[4-(furan-2-yl)-1-(2-phenylethyl)indazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[4-(furan-2-yl)-1-(2-phenylethyl)indazol-3-yl]methyl]ethanamine is CCN(CC)Cc1nn(CCc2ccccc2)c2cccc(-c3ccco3)c12.
What is the InChIKey of N-ethyl-N-[[4-(furan-2-yl)-1-(2-phenylethyl)indazol-3-yl]methyl]ethanamine?
The InChIKey is ZCQTXPMKBUIFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-3-26(4-2)18-21-24-20(23-14-9-17-28-23)12-8-13-22(24)27(25-21)16-15-19-10-6-5-7-11-19/h5-14,17H,3-4,15-16,18H2,1-2H3.
What are the key properties of N-ethyl-N-[[4-(furan-2-yl)-1-(2-phenylethyl)indazol-3-yl]methyl]ethanamine?
N-ethyl-N-[[4-(furan-2-yl)-1-(2-phenylethyl)indazol-3-yl]methyl]ethanamine has a molecular weight of 373.50 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(furan-2-yl)-1-(2-phenylethyl)indazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 174406380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).