N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide

C17H11ClN6O3 — CID 55993552

IUPACN-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cccn1)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C17H11ClN6O3/c18-10-2-5-15(23-7-1-6-19-23)14(8-10)20-17(25)16-12-9-11(24(26)27)3-4-13(12)21-22-16/h1-9H,(H,20,25)(H,21,22)
InChIKeyPLUQAAKWRSTYBF-UHFFFAOYSA-N
MW382.77 g/mol
LogP3.56
Rot. Bonds4

About N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide

N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide (PubChem CID 55993552) has the molecular formula C17H11ClN6O3 and a molecular weight of 382.77 g/mol. Its IUPAC name is N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide
PubChem CID55993552
Molecular FormulaC17H11ClN6O3
Molecular Weight382.77 g/mol
Exact Mass382.06
IUPAC NameN-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cccn1)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C17H11ClN6O3/c18-10-2-5-15(23-7-1-6-19-23)14(8-10)20-17(25)16-12-9-11(24(26)27)3-4-13(12)21-22-16/h1-9H,(H,20,25)(H,21,22)
InChIKeyPLUQAAKWRSTYBF-UHFFFAOYSA-N
XLogP3.56
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-5-nitro-1H-indazole-3-carboxamide
CID 35374426
5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide
CID 10358473
2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide
CID 55919142
3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
CID 64523056
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55993544
6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide
CID 21241436
1-(2-fluoro-4-nitrophenyl)pyrazole
CID 10703514
2-chloro-N-[2-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]-4-nitrobenzamide
CID 55818987
6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide
CID 21241476
N-(5-chloro-2-fluorophenyl)-1H-indazole-3-carboxamide
CID 60700965
N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
CID 103515148
5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide
CID 60516598

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide (CID 55993552) is N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide is O=C(Nc1cc(Cl)ccc1-n1cccn1)c1n[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide?
The InChIKey is PLUQAAKWRSTYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN6O3/c18-10-2-5-15(23-7-1-6-19-23)14(8-10)20-17(25)16-12-9-11(24(26)27)3-4-13(12)21-22-16/h1-9H,(H,20,25)(H,21,22).
What are the key properties of N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide?
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide has a molecular weight of 382.77 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide is sourced from PubChem (CID 55993552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).