[3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine

C11H13N5O2 — CID 80900658

IUPAC[3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine
SMILESCc1cc(C)n(-c2cc(NN)cc([N+](=O)[O-])c2)n1
InChIInChI=1S/C11H13N5O2/c1-7-3-8(2)15(14-7)10-4-9(13-12)5-11(6-10)16(17)18/h3-6,13H,12H2,1-2H3
InChIKeyZMPRUAVBYOLUMF-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.68
Rot. Bonds3

About [3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine

[3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine (PubChem CID 80900658) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is [3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine
PubChem CID80900658
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name[3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine
SMILESCc1cc(C)n(-c2cc(NN)cc([N+](=O)[O-])c2)n1
InChIInChI=1S/C11H13N5O2/c1-7-3-8(2)15(14-7)10-4-9(13-12)5-11(6-10)16(17)18/h3-6,13H,12H2,1-2H3
InChIKeyZMPRUAVBYOLUMF-UHFFFAOYSA-N
XLogP1.68
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-methylimidazol-1-yl)-5-nitrophenyl]hydrazine
CID 80902141
1-(3-fluoro-5-nitrophenyl)-5-methylpyrazol-3-amine
CID 107335746
1-(3-hydrazinyl-5-nitrophenyl)pyrrolidine-3,4-diol
CID 106674650
[3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine
CID 80912767
4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide
CID 4862138
3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine
CID 107465279
[3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine
CID 113419535
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-5-nitroaniline
CID 80857201
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-nitropyridin-2-amine
CID 71852156
1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol
CID 80931571
2-(3,5-dimethylpyrazol-1-yl)-6-methyl-N-(3-nitrophenyl)pyrimidin-4-amine
CID 8668786
3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-5-nitroaniline
CID 80857177

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine?
The IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine (CID 80900658) is [3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine.
What is the SMILES notation for [3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine?
The canonical SMILES for [3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine is Cc1cc(C)n(-c2cc(NN)cc([N+](=O)[O-])c2)n1.
What is the InChIKey of [3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine?
The InChIKey is ZMPRUAVBYOLUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7-3-8(2)15(14-7)10-4-9(13-12)5-11(6-10)16(17)18/h3-6,13H,12H2,1-2H3.
What are the key properties of [3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine?
[3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine has a molecular weight of 247.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine is sourced from PubChem (CID 80900658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).