2-(2-nitrophenyl)pyrazol-3-amine

C9H8N4O2 — CID 10375626

IUPAC2-(2-nitrophenyl)pyrazol-3-amine
SMILESNc1ccnn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H8N4O2/c10-9-5-6-11-12(9)7-3-1-2-4-8(7)13(14)15/h1-6H,10H2
InChIKeyCJVLHDXEQGDKPP-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.36
Rot. Bonds2

About 2-(2-nitrophenyl)pyrazol-3-amine

2-(2-nitrophenyl)pyrazol-3-amine (PubChem CID 10375626) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(2-nitrophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(2-nitrophenyl)pyrazol-3-amine
PubChem CID10375626
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-(2-nitrophenyl)pyrazol-3-amine
SMILESNc1ccnn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H8N4O2/c10-9-5-6-11-12(9)7-3-1-2-4-8(7)13(14)15/h1-6H,10H2
InChIKeyCJVLHDXEQGDKPP-UHFFFAOYSA-N
XLogP1.36
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.36
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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Related Compounds

1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole
CID 21105009
3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine
CID 134405647
5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole
CID 141141729
2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole
CID 56956111
1-[5-methyl-1-(2-nitrophenyl)pyrazol-4-yl]ethanamine
CID 43209038
1-(2-nitrophenyl)-5-propyltriazol-4-amine
CID 79508399
5-amino-2-(2-nitrophenyl)-4H-pyrazol-3-one
CID 83535658
2-[5-nitro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]pyrazol-3-amine
CID 171069155
2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 634370
4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one
CID 101357762
ethyl 4,5-dimethyl-2-(2-nitrophenyl)pyrazole-3-carboxylate
CID 70085916
(2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine
CID 7210197

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)pyrazol-3-amine?
The IUPAC name of 2-(2-nitrophenyl)pyrazol-3-amine (CID 10375626) is 2-(2-nitrophenyl)pyrazol-3-amine.
What is the SMILES notation for 2-(2-nitrophenyl)pyrazol-3-amine?
The canonical SMILES for 2-(2-nitrophenyl)pyrazol-3-amine is Nc1ccnn1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenyl)pyrazol-3-amine?
The InChIKey is CJVLHDXEQGDKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-9-5-6-11-12(9)7-3-1-2-4-8(7)13(14)15/h1-6H,10H2.
What are the key properties of 2-(2-nitrophenyl)pyrazol-3-amine?
2-(2-nitrophenyl)pyrazol-3-amine has a molecular weight of 204.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)pyrazol-3-amine is sourced from PubChem (CID 10375626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).