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

C15H10N4O4 — CID 2179703

IUPAC3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1
InChIInChI=1S/C15H10N4O4/c20-18(21)12-6-4-10(5-7-12)14-9-15(17-16-14)11-2-1-3-13(8-11)19(22)23/h1-9H,(H,16,17)
InChIKeyMPUYYRPTFCMIMT-UHFFFAOYSA-N
MW310.27 g/mol
LogP3.56
Rot. Bonds4

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

3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole (PubChem CID 2179703) has the molecular formula C15H10N4O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole
PubChem CID2179703
Molecular FormulaC15H10N4O4
Molecular Weight310.27 g/mol
Exact Mass310.07
IUPAC Name3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1
InChIInChI=1S/C15H10N4O4/c20-18(21)12-6-4-10(5-7-12)14-9-15(17-16-14)11-2-1-3-13(8-11)19(22)23/h1-9H,(H,16,17)
InChIKeyMPUYYRPTFCMIMT-UHFFFAOYSA-N
XLogP3.56
TPSA114.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 53.56
H-Bond Donors ≤ 51
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

3-(4-iodophenyl)-5-(4-nitrophenyl)-1H-pyrazole
CID 135421478
N,N-dimethyl-4-[5-(4-nitrophenyl)-1H-pyrazol-3-yl]aniline
CID 3809870
5-(aminomethyl)-3-(3-nitrophenyl)-1H-pyridazin-6-one
CID 82446437
2-[3-(3-nitrophenyl)-6-oxo-1H-pyridazin-5-yl]acetic acid
CID 82446435
5-benzyl-3-(3-nitrophenyl)-1H-pyrazole
CID 91385743
4,6-bis(4-nitrophenyl)-1H-pyrimidin-2-one
CID 630860
N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide
CID 71934897
5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride
CID 121230197
3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline
CID 25208156
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
5-(4-methylsulfonylphenyl)-3-[3-[5-(4-methylsulfonylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529599
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole?
The IUPAC name of 3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole (CID 2179703) is 3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole.
What is the SMILES notation for 3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole?
The canonical SMILES for 3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole is O=[N+]([O-])c1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1.
What is the InChIKey of 3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole?
The InChIKey is MPUYYRPTFCMIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O4/c20-18(21)12-6-4-10(5-7-12)14-9-15(17-16-14)11-2-1-3-13(8-11)19(22)23/h1-9H,(H,16,17).
What are the key properties of 3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole?
3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole has a molecular weight of 310.27 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole is sourced from PubChem (CID 2179703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).