3-ethoxy-N-[2-(4-methylphenyl)ethyl]-2-propylindazole-6-carboxamide

C22H27N3O2 — CID 11958689

IUPAC3-ethoxy-N-[2-(4-methylphenyl)ethyl]-2-propylindazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCCc3ccc(C)cc3)ccc2c1OCC
InChIInChI=1S/C22H27N3O2/c1-4-14-25-22(27-5-2)19-11-10-18(15-20(19)24-25)21(26)23-13-12-17-8-6-16(3)7-9-17/h6-11,15H,4-5,12-14H2,1-3H3,(H,23,26)
InChIKeyFQKGHNVZASWYLW-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.13
Rot. Bonds8

About 3-ethoxy-N-[2-(4-methylphenyl)ethyl]-2-propylindazole-6-carboxamide

3-ethoxy-N-[2-(4-methylphenyl)ethyl]-2-propylindazole-6-carboxamide (PubChem CID 11958689) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(4-methylphenyl)ethyl]-2-propylindazole-6-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(4-methylphenyl)ethyl]-2-propylindazole-6-carboxamide
PubChem CID11958689
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-ethoxy-N-[2-(4-methylphenyl)ethyl]-2-propylindazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCCc3ccc(C)cc3)ccc2c1OCC
InChIInChI=1S/C22H27N3O2/c1-4-14-25-22(27-5-2)19-11-10-18(15-20(19)24-25)21(26)23-13-12-17-8-6-16(3)7-9-17/h6-11,15H,4-5,12-14H2,1-3H3,(H,23,26)
InChIKeyFQKGHNVZASWYLW-UHFFFAOYSA-N
XLogP4.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(4-methylphenyl)ethyl]-2-propylindazole-6-carboxamide?
The IUPAC name of 3-ethoxy-N-[2-(4-methylphenyl)ethyl]-2-propylindazole-6-carboxamide (CID 11958689) is 3-ethoxy-N-[2-(4-methylphenyl)ethyl]-2-propylindazole-6-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[2-(4-methylphenyl)ethyl]-2-propylindazole-6-carboxamide?
The canonical SMILES for 3-ethoxy-N-[2-(4-methylphenyl)ethyl]-2-propylindazole-6-carboxamide is CCCn1nc2cc(C(=O)NCCc3ccc(C)cc3)ccc2c1OCC.
What is the InChIKey of 3-ethoxy-N-[2-(4-methylphenyl)ethyl]-2-propylindazole-6-carboxamide?
The InChIKey is FQKGHNVZASWYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-14-25-22(27-5-2)19-11-10-18(15-20(19)24-25)21(26)23-13-12-17-8-6-16(3)7-9-17/h6-11,15H,4-5,12-14H2,1-3H3,(H,23,26).
What are the key properties of 3-ethoxy-N-[2-(4-methylphenyl)ethyl]-2-propylindazole-6-carboxamide?
3-ethoxy-N-[2-(4-methylphenyl)ethyl]-2-propylindazole-6-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(4-methylphenyl)ethyl]-2-propylindazole-6-carboxamide is sourced from PubChem (CID 11958689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).