N-(4-methylphenyl)-1H-indazole-3-carboxamide

C15H13N3O — CID 9411754

IUPACN-(4-methylphenyl)-1H-indazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C15H13N3O/c1-10-6-8-11(9-7-10)16-15(19)14-12-4-2-3-5-13(12)17-18-14/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeySKMFGOZPQGHDGG-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.12
Rot. Bonds2

About N-(4-methylphenyl)-1H-indazole-3-carboxamide

N-(4-methylphenyl)-1H-indazole-3-carboxamide (PubChem CID 9411754) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(4-methylphenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1H-indazole-3-carboxamide
PubChem CID9411754
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-(4-methylphenyl)-1H-indazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C15H13N3O/c1-10-6-8-11(9-7-10)16-15(19)14-12-4-2-3-5-13(12)17-18-14/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeySKMFGOZPQGHDGG-UHFFFAOYSA-N
XLogP3.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1H-indazole-3-carboxamide (CID 9411754) is N-(4-methylphenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1H-indazole-3-carboxamide is Cc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-1H-indazole-3-carboxamide?
The InChIKey is SKMFGOZPQGHDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-6-8-11(9-7-10)16-15(19)14-12-4-2-3-5-13(12)17-18-14/h2-9H,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(4-methylphenyl)-1H-indazole-3-carboxamide?
N-(4-methylphenyl)-1H-indazole-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 9411754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).