5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride

C10H10ClN3O2 — CID 121230197

IUPAC5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride
SMILESCc1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1.Cl
InChIInChI=1S/C10H9N3O2.ClH/c1-7-6-10(12-11-7)8-2-4-9(5-3-8)13(14)15;/h2-6H,1H3,(H,11,12);1H
InChIKeyNVWDZMCCYMUFNC-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.72
Rot. Bonds2

About 5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride

5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride (PubChem CID 121230197) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride
PubChem CID121230197
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride
SMILESCc1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1.Cl
InChIInChI=1S/C10H9N3O2.ClH/c1-7-6-10(12-11-7)8-2-4-9(5-3-8)13(14)15;/h2-6H,1H3,(H,11,12);1H
InChIKeyNVWDZMCCYMUFNC-UHFFFAOYSA-N
XLogP2.72
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride?
The IUPAC name of 5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride (CID 121230197) is 5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride.
What is the SMILES notation for 5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride?
The canonical SMILES for 5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride is Cc1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1.Cl.
What is the InChIKey of 5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride?
The InChIKey is NVWDZMCCYMUFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2.ClH/c1-7-6-10(12-11-7)8-2-4-9(5-3-8)13(14)15;/h2-6H,1H3,(H,11,12);1H.
What are the key properties of 5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride?
5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride has a molecular weight of 239.66 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride is sourced from PubChem (CID 121230197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).