3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide

C21H25N3O3 — CID 11958691

IUPAC3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCc3ccc(OC)cc3)ccc2c1OCC
InChIInChI=1S/C21H25N3O3/c1-4-12-24-21(27-5-2)18-11-8-16(13-19(18)23-24)20(25)22-14-15-6-9-17(26-3)10-7-15/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,25)
InChIKeyMAEUCLAFSZSYJR-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.78
Rot. Bonds8

About 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide

3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide (PubChem CID 11958691) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide
PubChem CID11958691
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCc3ccc(OC)cc3)ccc2c1OCC
InChIInChI=1S/C21H25N3O3/c1-4-12-24-21(27-5-2)18-11-8-16(13-19(18)23-24)20(25)22-14-15-6-9-17(26-3)10-7-15/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,25)
InChIKeyMAEUCLAFSZSYJR-UHFFFAOYSA-N
XLogP3.78
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide?
The IUPAC name of 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide (CID 11958691) is 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide?
The canonical SMILES for 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide is CCCn1nc2cc(C(=O)NCc3ccc(OC)cc3)ccc2c1OCC.
What is the InChIKey of 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide?
The InChIKey is MAEUCLAFSZSYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-12-24-21(27-5-2)18-11-8-16(13-19(18)23-24)20(25)22-14-15-6-9-17(26-3)10-7-15/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,25).
What are the key properties of 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide?
3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide is sourced from PubChem (CID 11958691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).