2-(7-chloro-5-nitroindazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide

C14H13ClN6O3 — CID 75442416

IUPAC2-(7-chloro-5-nitroindazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)n(C)n1
InChIInChI=1S/C14H13ClN6O3/c1-8-3-12(19(2)18-8)17-13(22)7-20-14-9(6-16-20)4-10(21(23)24)5-11(14)15/h3-6H,7H2,1-2H3,(H,17,22)
InChIKeyQGPDWQNQZSKJHJ-UHFFFAOYSA-N
MW348.75 g/mol
LogP2.28
Rot. Bonds4

About 2-(7-chloro-5-nitroindazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-(7-chloro-5-nitroindazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 75442416) has the molecular formula C14H13ClN6O3 and a molecular weight of 348.75 g/mol. Its IUPAC name is 2-(7-chloro-5-nitroindazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-5-nitroindazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID75442416
Molecular FormulaC14H13ClN6O3
Molecular Weight348.75 g/mol
Exact Mass348.07
IUPAC Name2-(7-chloro-5-nitroindazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)n(C)n1
InChIInChI=1S/C14H13ClN6O3/c1-8-3-12(19(2)18-8)17-13(22)7-20-14-9(6-16-20)4-10(21(23)24)5-11(14)15/h3-6H,7H2,1-2H3,(H,17,22)
InChIKeyQGPDWQNQZSKJHJ-UHFFFAOYSA-N
XLogP2.28
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-(7-chloro-5-nitroindazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(7-chloro-5-nitroindazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 75442416) is 2-(7-chloro-5-nitroindazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(7-chloro-5-nitroindazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(7-chloro-5-nitroindazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)n(C)n1.
What is the InChIKey of 2-(7-chloro-5-nitroindazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is QGPDWQNQZSKJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O3/c1-8-3-12(19(2)18-8)17-13(22)7-20-14-9(6-16-20)4-10(21(23)24)5-11(14)15/h3-6H,7H2,1-2H3,(H,17,22).
What are the key properties of 2-(7-chloro-5-nitroindazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-(7-chloro-5-nitroindazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 348.75 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-5-nitroindazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 75442416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).