N-(4-chlorophenyl)-5-nitroindazole-1-carboxamide

C14H9ClN4O3 — CID 3480015

IUPACN-(4-chlorophenyl)-5-nitroindazole-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)n1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H9ClN4O3/c15-10-1-3-11(4-2-10)17-14(20)18-13-6-5-12(19(21)22)7-9(13)8-16-18/h1-8H,(H,17,20)
InChIKeyCZMILRFMMBGUSL-UHFFFAOYSA-N
MW316.70 g/mol
LogP3.68
Rot. Bonds2

About N-(4-chlorophenyl)-5-nitroindazole-1-carboxamide

N-(4-chlorophenyl)-5-nitroindazole-1-carboxamide (PubChem CID 3480015) has the molecular formula C14H9ClN4O3 and a molecular weight of 316.70 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-nitroindazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-nitroindazole-1-carboxamide
PubChem CID3480015
Molecular FormulaC14H9ClN4O3
Molecular Weight316.70 g/mol
Exact Mass316.04
IUPAC NameN-(4-chlorophenyl)-5-nitroindazole-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)n1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H9ClN4O3/c15-10-1-3-11(4-2-10)17-14(20)18-13-6-5-12(19(21)22)7-9(13)8-16-18/h1-8H,(H,17,20)
InChIKeyCZMILRFMMBGUSL-UHFFFAOYSA-N
XLogP3.68
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.70
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-nitroindazole-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-nitroindazole-1-carboxamide (CID 3480015) is N-(4-chlorophenyl)-5-nitroindazole-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-nitroindazole-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-nitroindazole-1-carboxamide is O=C(Nc1ccc(Cl)cc1)n1ncc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of N-(4-chlorophenyl)-5-nitroindazole-1-carboxamide?
The InChIKey is CZMILRFMMBGUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O3/c15-10-1-3-11(4-2-10)17-14(20)18-13-6-5-12(19(21)22)7-9(13)8-16-18/h1-8H,(H,17,20).
What are the key properties of N-(4-chlorophenyl)-5-nitroindazole-1-carboxamide?
N-(4-chlorophenyl)-5-nitroindazole-1-carboxamide has a molecular weight of 316.70 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-nitroindazole-1-carboxamide is sourced from PubChem (CID 3480015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).