N,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline

C15H14N4O2 — CID 10286156

IUPACN,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline
SMILESCN(C)c1ccc(-c2n[nH]c3cc([N+](=O)[O-])ccc23)cc1
InChIInChI=1S/C15H14N4O2/c1-18(2)11-5-3-10(4-6-11)15-13-8-7-12(19(20)21)9-14(13)16-17-15/h3-9H,1-2H3,(H,16,17)
InChIKeyKRZIFLCZBWEUHQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.20
Rot. Bonds3

About N,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline

N,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline (PubChem CID 10286156) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline
PubChem CID10286156
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline
SMILESCN(C)c1ccc(-c2n[nH]c3cc([N+](=O)[O-])ccc23)cc1
InChIInChI=1S/C15H14N4O2/c1-18(2)11-5-3-10(4-6-11)15-13-8-7-12(19(20)21)9-14(13)16-17-15/h3-9H,1-2H3,(H,16,17)
InChIKeyKRZIFLCZBWEUHQ-UHFFFAOYSA-N
XLogP3.20
TPSA75.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline (CID 10286156) is N,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline is CN(C)c1ccc(-c2n[nH]c3cc([N+](=O)[O-])ccc23)cc1.
What is the InChIKey of N,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline?
The InChIKey is KRZIFLCZBWEUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-18(2)11-5-3-10(4-6-11)15-13-8-7-12(19(20)21)9-14(13)16-17-15/h3-9H,1-2H3,(H,16,17).
What are the key properties of N,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline?
N,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline has a molecular weight of 282.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline is sourced from PubChem (CID 10286156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).