3-methyl-1-(4-nitrophenyl)pyrazole

C10H9N3O2 — CID 804933

IUPAC3-methyl-1-(4-nitrophenyl)pyrazole
SMILESCc1ccn(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C10H9N3O2/c1-8-6-7-12(11-8)9-2-4-10(5-3-9)13(14)15/h2-7H,1H3
InChIKeyYFSGTGJLLRVDJS-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.09
Rot. Bonds2

About 3-methyl-1-(4-nitrophenyl)pyrazole

3-methyl-1-(4-nitrophenyl)pyrazole (PubChem CID 804933) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-methyl-1-(4-nitrophenyl)pyrazole.

Molecular Properties

Compound Name3-methyl-1-(4-nitrophenyl)pyrazole
PubChem CID804933
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name3-methyl-1-(4-nitrophenyl)pyrazole
SMILESCc1ccn(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C10H9N3O2/c1-8-6-7-12(11-8)9-2-4-10(5-3-9)13(14)15/h2-7H,1H3
InChIKeyYFSGTGJLLRVDJS-UHFFFAOYSA-N
XLogP2.09
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
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 3-methyl-1-(4-nitrophenyl)pyrazole?
The IUPAC name of 3-methyl-1-(4-nitrophenyl)pyrazole (CID 804933) is 3-methyl-1-(4-nitrophenyl)pyrazole.
What is the SMILES notation for 3-methyl-1-(4-nitrophenyl)pyrazole?
The canonical SMILES for 3-methyl-1-(4-nitrophenyl)pyrazole is Cc1ccn(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 3-methyl-1-(4-nitrophenyl)pyrazole?
The InChIKey is YFSGTGJLLRVDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-8-6-7-12(11-8)9-2-4-10(5-3-9)13(14)15/h2-7H,1H3.
What are the key properties of 3-methyl-1-(4-nitrophenyl)pyrazole?
3-methyl-1-(4-nitrophenyl)pyrazole has a molecular weight of 203.20 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-nitrophenyl)pyrazole is sourced from PubChem (CID 804933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).