N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide

C15H9ClN4O — CID 107809699

IUPACN-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2n[nH]c3ccccc23)c(Cl)c1
InChIInChI=1S/C15H9ClN4O/c16-11-7-9(8-17)5-6-13(11)18-15(21)14-10-3-1-2-4-12(10)19-20-14/h1-7H,(H,18,21)(H,19,20)
InChIKeyJXXTZGUHGQPQJA-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.34
Rot. Bonds2

About N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide

N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide (PubChem CID 107809699) has the molecular formula C15H9ClN4O and a molecular weight of 296.72 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide
PubChem CID107809699
Molecular FormulaC15H9ClN4O
Molecular Weight296.72 g/mol
Exact Mass296.05
IUPAC NameN-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2n[nH]c3ccccc23)c(Cl)c1
InChIInChI=1S/C15H9ClN4O/c16-11-7-9(8-17)5-6-13(11)18-15(21)14-10-3-1-2-4-12(10)19-20-14/h1-7H,(H,18,21)(H,19,20)
InChIKeyJXXTZGUHGQPQJA-UHFFFAOYSA-N
XLogP3.34
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-1H-indazole-3-carboxamide
CID 40711329
N-(5-chloro-2-fluorophenyl)-1H-indazole-3-carboxamide
CID 60700965
N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide
CID 60737768
N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide
CID 107808194
N-(2-bromophenyl)-1H-indazole-3-carboxamide
CID 60636355
N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 103811101
N-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide
CID 86075446
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806
4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 107808049
5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide
CID 60905939
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide (CID 107809699) is N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide is N#Cc1ccc(NC(=O)c2n[nH]c3ccccc23)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide?
The InChIKey is JXXTZGUHGQPQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O/c16-11-7-9(8-17)5-6-13(11)18-15(21)14-10-3-1-2-4-12(10)19-20-14/h1-7H,(H,18,21)(H,19,20).
What are the key properties of N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide?
N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide has a molecular weight of 296.72 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 107809699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).