N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide

C17H17N3O — CID 118959947

IUPACN-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2n[nH]c(Cc3cccc(C)c3)c2c1
InChIInChI=1S/C17H17N3O/c1-11-4-3-5-12(8-11)9-16-14-10-13(17(21)18-2)6-7-15(14)19-20-16/h3-8,10H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyJMTPOBLXKZZYCU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.82
Rot. Bonds3

About N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide

N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide (PubChem CID 118959947) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide
PubChem CID118959947
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2n[nH]c(Cc3cccc(C)c3)c2c1
InChIInChI=1S/C17H17N3O/c1-11-4-3-5-12(8-11)9-16-14-10-13(17(21)18-2)6-7-15(14)19-20-16/h3-8,10H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyJMTPOBLXKZZYCU-UHFFFAOYSA-N
XLogP2.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide?
The IUPAC name of N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide (CID 118959947) is N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide?
The canonical SMILES for N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide is CNC(=O)c1ccc2n[nH]c(Cc3cccc(C)c3)c2c1.
What is the InChIKey of N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide?
The InChIKey is JMTPOBLXKZZYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-4-3-5-12(8-11)9-16-14-10-13(17(21)18-2)6-7-15(14)19-20-16/h3-8,10H,9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide?
N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 118959947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).