3-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indazole-5-carboxamide

C18H20N4O2 — CID 22480245

IUPAC3-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indazole-5-carboxamide
SMILESCN(C)CCOc1ccc(-c2n[nH]c3ccc(C(N)=O)cc23)cc1
InChIInChI=1S/C18H20N4O2/c1-22(2)9-10-24-14-6-3-12(4-7-14)17-15-11-13(18(19)23)5-8-16(15)20-21-17/h3-8,11H,9-10H2,1-2H3,(H2,19,23)(H,20,21)
InChIKeyAWTDBXKYXJSUGZ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.27
Rot. Bonds6

About 3-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indazole-5-carboxamide

3-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indazole-5-carboxamide (PubChem CID 22480245) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indazole-5-carboxamide
PubChem CID22480245
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indazole-5-carboxamide
SMILESCN(C)CCOc1ccc(-c2n[nH]c3ccc(C(N)=O)cc23)cc1
InChIInChI=1S/C18H20N4O2/c1-22(2)9-10-24-14-6-3-12(4-7-14)17-15-11-13(18(19)23)5-8-16(15)20-21-17/h3-8,11H,9-10H2,1-2H3,(H2,19,23)(H,20,21)
InChIKeyAWTDBXKYXJSUGZ-UHFFFAOYSA-N
XLogP2.27
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indazole-5-carboxamide (CID 22480245) is 3-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indazole-5-carboxamide is CN(C)CCOc1ccc(-c2n[nH]c3ccc(C(N)=O)cc23)cc1.
What is the InChIKey of 3-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indazole-5-carboxamide?
The InChIKey is AWTDBXKYXJSUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-22(2)9-10-24-14-6-3-12(4-7-14)17-15-11-13(18(19)23)5-8-16(15)20-21-17/h3-8,11H,9-10H2,1-2H3,(H2,19,23)(H,20,21).
What are the key properties of 3-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indazole-5-carboxamide?
3-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indazole-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 22480245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).