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

C16H13N3O3 — CID 135064921

IUPAC1-(2-methoxyphenyl)-3-(4-nitrophenyl)pyrazole
SMILESCOc1ccccc1-n1ccc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C16H13N3O3/c1-22-16-5-3-2-4-15(16)18-11-10-14(17-18)12-6-8-13(9-7-12)19(20)21/h2-11H,1H3
InChIKeySIIULRBWSJLXRR-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.46
Rot. Bonds4

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

1-(2-methoxyphenyl)-3-(4-nitrophenyl)pyrazole (PubChem CID 135064921) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(4-nitrophenyl)pyrazole.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(4-nitrophenyl)pyrazole
PubChem CID135064921
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name1-(2-methoxyphenyl)-3-(4-nitrophenyl)pyrazole
SMILESCOc1ccccc1-n1ccc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C16H13N3O3/c1-22-16-5-3-2-4-15(16)18-11-10-14(17-18)12-6-8-13(9-7-12)19(20)21/h2-11H,1H3
InChIKeySIIULRBWSJLXRR-UHFFFAOYSA-N
XLogP3.46
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42762222
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]methanone
CID 4240574
(3aS,6aS)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
CID 98154380
1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1087313
N-(2-methoxyphenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7672535
1-(2-fluorophenyl)-3-(4-fluorophenyl)pyrazole
CID 135065118
3-(4-methoxyanilino)-1-(2-methoxyphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585710
3-(furan-2-ylmethylsulfanyl)-1-(2-methoxyphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542587
[3-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4261656
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
3-(2-methoxyphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine;hydrobromide
CID 18577185
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(4-nitrophenyl)pyrazole?
The IUPAC name of 1-(2-methoxyphenyl)-3-(4-nitrophenyl)pyrazole (CID 135064921) is 1-(2-methoxyphenyl)-3-(4-nitrophenyl)pyrazole.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(4-nitrophenyl)pyrazole?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(4-nitrophenyl)pyrazole is COc1ccccc1-n1ccc(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(4-nitrophenyl)pyrazole?
The InChIKey is SIIULRBWSJLXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-16-5-3-2-4-15(16)18-11-10-14(17-18)12-6-8-13(9-7-12)19(20)21/h2-11H,1H3.
What are the key properties of 1-(2-methoxyphenyl)-3-(4-nitrophenyl)pyrazole?
1-(2-methoxyphenyl)-3-(4-nitrophenyl)pyrazole has a molecular weight of 295.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(4-nitrophenyl)pyrazole is sourced from PubChem (CID 135064921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).