(3-methyl-4-nitro-1-phenylpyrazol-5-yl)hydrazine

C10H11N5O2 — CID 13101612

IUPAC(3-methyl-4-nitro-1-phenylpyrazol-5-yl)hydrazine
SMILESCc1nn(-c2ccccc2)c(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2/c1-7-9(15(16)17)10(12-11)14(13-7)8-5-3-2-4-6-8/h2-6,12H,11H2,1H3
InChIKeyMIIKQEHMGFHNGR-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.37
Rot. Bonds3

About (3-methyl-4-nitro-1-phenylpyrazol-5-yl)hydrazine

(3-methyl-4-nitro-1-phenylpyrazol-5-yl)hydrazine (PubChem CID 13101612) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is (3-methyl-4-nitro-1-phenylpyrazol-5-yl)hydrazine.

Molecular Properties

Compound Name(3-methyl-4-nitro-1-phenylpyrazol-5-yl)hydrazine
PubChem CID13101612
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name(3-methyl-4-nitro-1-phenylpyrazol-5-yl)hydrazine
SMILESCc1nn(-c2ccccc2)c(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2/c1-7-9(15(16)17)10(12-11)14(13-7)8-5-3-2-4-6-8/h2-6,12H,11H2,1H3
InChIKeyMIIKQEHMGFHNGR-UHFFFAOYSA-N
XLogP1.37
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.37
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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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-nitro-1-phenylpyrazol-5-yl)hydrazine?
The IUPAC name of (3-methyl-4-nitro-1-phenylpyrazol-5-yl)hydrazine (CID 13101612) is (3-methyl-4-nitro-1-phenylpyrazol-5-yl)hydrazine.
What is the SMILES notation for (3-methyl-4-nitro-1-phenylpyrazol-5-yl)hydrazine?
The canonical SMILES for (3-methyl-4-nitro-1-phenylpyrazol-5-yl)hydrazine is Cc1nn(-c2ccccc2)c(NN)c1[N+](=O)[O-].
What is the InChIKey of (3-methyl-4-nitro-1-phenylpyrazol-5-yl)hydrazine?
The InChIKey is MIIKQEHMGFHNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-7-9(15(16)17)10(12-11)14(13-7)8-5-3-2-4-6-8/h2-6,12H,11H2,1H3.
What are the key properties of (3-methyl-4-nitro-1-phenylpyrazol-5-yl)hydrazine?
(3-methyl-4-nitro-1-phenylpyrazol-5-yl)hydrazine has a molecular weight of 233.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-nitro-1-phenylpyrazol-5-yl)hydrazine is sourced from PubChem (CID 13101612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).