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

C14H10BrN3O — CID 9341205

IUPACN-(4-bromophenyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C14H10BrN3O/c15-9-5-7-10(8-6-9)16-14(19)13-11-3-1-2-4-12(11)17-18-13/h1-8H,(H,16,19)(H,17,18)
InChIKeyJOXUYLCNUTYOTH-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.58
Rot. Bonds2

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

N-(4-bromophenyl)-1H-indazole-3-carboxamide (PubChem CID 9341205) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is N-(4-bromophenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1H-indazole-3-carboxamide
PubChem CID9341205
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC NameN-(4-bromophenyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C14H10BrN3O/c15-9-5-7-10(8-6-9)16-14(19)13-11-3-1-2-4-12(11)17-18-13/h1-8H,(H,16,19)(H,17,18)
InChIKeyJOXUYLCNUTYOTH-UHFFFAOYSA-N
XLogP3.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1H-indazole-3-carboxamide (CID 9341205) is N-(4-bromophenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1n[nH]c2ccccc12.
What is the InChIKey of N-(4-bromophenyl)-1H-indazole-3-carboxamide?
The InChIKey is JOXUYLCNUTYOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-9-5-7-10(8-6-9)16-14(19)13-11-3-1-2-4-12(11)17-18-13/h1-8H,(H,16,19)(H,17,18).
What are the key properties of N-(4-bromophenyl)-1H-indazole-3-carboxamide?
N-(4-bromophenyl)-1H-indazole-3-carboxamide has a molecular weight of 316.16 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 9341205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).