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

C16H16N4O — CID 22480095

IUPAC3-[4-(dimethylamino)phenyl]-1H-indazole-5-carboxamide
SMILESCN(C)c1ccc(-c2n[nH]c3ccc(C(N)=O)cc23)cc1
InChIInChI=1S/C16H16N4O/c1-20(2)12-6-3-10(4-7-12)15-13-9-11(16(17)21)5-8-14(13)18-19-15/h3-9H,1-2H3,(H2,17,21)(H,18,19)
InChIKeyKCLWZTJLVOJIDW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.39
Rot. Bonds3

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

3-[4-(dimethylamino)phenyl]-1H-indazole-5-carboxamide (PubChem CID 22480095) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-1H-indazole-5-carboxamide
PubChem CID22480095
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-[4-(dimethylamino)phenyl]-1H-indazole-5-carboxamide
SMILESCN(C)c1ccc(-c2n[nH]c3ccc(C(N)=O)cc23)cc1
InChIInChI=1S/C16H16N4O/c1-20(2)12-6-3-10(4-7-12)15-13-9-11(16(17)21)5-8-14(13)18-19-15/h3-9H,1-2H3,(H2,17,21)(H,18,19)
InChIKeyKCLWZTJLVOJIDW-UHFFFAOYSA-N
XLogP2.39
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-1H-indazole-5-carboxamide (CID 22480095) is 3-[4-(dimethylamino)phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-1H-indazole-5-carboxamide is CN(C)c1ccc(-c2n[nH]c3ccc(C(N)=O)cc23)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-1H-indazole-5-carboxamide?
The InChIKey is KCLWZTJLVOJIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20(2)12-6-3-10(4-7-12)15-13-9-11(16(17)21)5-8-14(13)18-19-15/h3-9H,1-2H3,(H2,17,21)(H,18,19).
What are the key properties of 3-[4-(dimethylamino)phenyl]-1H-indazole-5-carboxamide?
3-[4-(dimethylamino)phenyl]-1H-indazole-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 22480095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).