5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazole

C16H13N3O3 — CID 46887957

IUPAC5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazole
SMILESCOc1ccccc1-c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1
InChIInChI=1S/C16H13N3O3/c1-22-16-5-3-2-4-13(16)15-10-14(17-18-15)11-6-8-12(9-7-11)19(20)21/h2-10H,1H3,(H,17,18)
InChIKeyFTAMPEJSPZGPDU-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.66
Rot. Bonds4

About 5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazole

5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazole (PubChem CID 46887957) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazole
PubChem CID46887957
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazole
SMILESCOc1ccccc1-c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1
InChIInChI=1S/C16H13N3O3/c1-22-16-5-3-2-4-13(16)15-10-14(17-18-15)11-6-8-12(9-7-11)19(20)21/h2-10H,1H3,(H,17,18)
InChIKeyFTAMPEJSPZGPDU-UHFFFAOYSA-N
XLogP3.66
TPSA81.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
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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Related Compounds

3,5-bis(4-methoxyphenyl)-1H-pyrazole
CID 658538
2-(5-(4-methoxyphenyl)-1H-pyrazol-3-yl)-5-methylphenol
CID 755039
2-[5-(4-Methoxy-phenyl)-1H-pyrazol-3-yl]-phenol
CID 3750129
3,5-dimethyl-4-[4-(4-nitrophenoxy)butyl]-1H-pyrazole
CID 2237961
4-Methoxy-6-[5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
CID 697726
5-methoxy-2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 874742
2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol
CID 3702104
3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole
CID 46861788
2-(5-(4-fluorophenyl)-1H-pyrazol-3-yl)-4-methoxyphenol
CID 781225
3-(4-methoxyphenyl)-5-phenyl-1H-pyrazole
CID 290611
4-Methyl-2-(5-(2-nitrophenyl)-1H-pyrazol-3-yl)phenol
CID 3126073
3-(4-methoxyphenyl)-5-methyl-1H-pyrazole
CID 2764201

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazole?
The IUPAC name of 5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazole (CID 46887957) is 5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazole?
The canonical SMILES for 5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazole is COc1ccccc1-c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1.
What is the InChIKey of 5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazole?
The InChIKey is FTAMPEJSPZGPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-16-5-3-2-4-13(16)15-10-14(17-18-15)11-6-8-12(9-7-11)19(20)21/h2-10H,1H3,(H,17,18).
What are the key properties of 5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazole?
5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazole has a molecular weight of 295.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazole is sourced from PubChem (CID 46887957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).