4-nitro-5-[4-nitro-3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]-3-(1H-pyrazol-4-yl)-1H-pyrazole

C12H8N10O4 — CID 135399519

IUPAC4-nitro-5-[4-nitro-3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]-3-(1H-pyrazol-4-yl)-1H-pyrazole
SMILESO=[N+]([O-])c1c(-c2cn[nH]c2)n[nH]c1-c1[nH]nc(-c2cn[nH]c2)c1[N+](=O)[O-]
InChIInChI=1S/C12H8N10O4/c23-21(24)11-7(5-1-13-14-2-5)17-19-9(11)10-12(22(25)26)8(18-20-10)6-3-15-16-4-6/h1-4H,(H,13,14)(H,15,16)(H,17,19)(H,18,20)
InChIKeyLHTOAAGOSOXVSY-UHFFFAOYSA-N
MW356.26 g/mol
LogP1.40
Rot. Bonds5

About 4-nitro-5-[4-nitro-3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]-3-(1H-pyrazol-4-yl)-1H-pyrazole

4-nitro-5-[4-nitro-3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]-3-(1H-pyrazol-4-yl)-1H-pyrazole (PubChem CID 135399519) has the molecular formula C12H8N10O4 and a molecular weight of 356.26 g/mol. Its IUPAC name is 4-nitro-5-[4-nitro-3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]-3-(1H-pyrazol-4-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-nitro-5-[4-nitro-3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]-3-(1H-pyrazol-4-yl)-1H-pyrazole
PubChem CID135399519
Molecular FormulaC12H8N10O4
Molecular Weight356.26 g/mol
Exact Mass356.07
IUPAC Name4-nitro-5-[4-nitro-3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]-3-(1H-pyrazol-4-yl)-1H-pyrazole
SMILESO=[N+]([O-])c1c(-c2cn[nH]c2)n[nH]c1-c1[nH]nc(-c2cn[nH]c2)c1[N+](=O)[O-]
InChIInChI=1S/C12H8N10O4/c23-21(24)11-7(5-1-13-14-2-5)17-19-9(11)10-12(22(25)26)8(18-20-10)6-3-15-16-4-6/h1-4H,(H,13,14)(H,15,16)(H,17,19)(H,18,20)
InChIKeyLHTOAAGOSOXVSY-UHFFFAOYSA-N
XLogP1.40
TPSA201.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

4-nitro-3-(1H-pyrazol-4-yl)-5-(4-pyrazolylidene)-1,2-dihydropyrazole
CID 3112996
4-nitro-5-(1H-pyrazol-4-yl)-1H-pyrazole
CID 4243675
1,1'',4'-trinitro-1H,1'H,1''H-4,3':5',4''-terpyrazole
CID 4996484
1-Methyl-4-[3-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-yl]pyrazole
CID 17382668

Frequently Asked Questions

What is the IUPAC name of 4-nitro-5-[4-nitro-3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]-3-(1H-pyrazol-4-yl)-1H-pyrazole?
The IUPAC name of 4-nitro-5-[4-nitro-3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]-3-(1H-pyrazol-4-yl)-1H-pyrazole (CID 135399519) is 4-nitro-5-[4-nitro-3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]-3-(1H-pyrazol-4-yl)-1H-pyrazole.
What is the SMILES notation for 4-nitro-5-[4-nitro-3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]-3-(1H-pyrazol-4-yl)-1H-pyrazole?
The canonical SMILES for 4-nitro-5-[4-nitro-3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]-3-(1H-pyrazol-4-yl)-1H-pyrazole is O=[N+]([O-])c1c(-c2cn[nH]c2)n[nH]c1-c1[nH]nc(-c2cn[nH]c2)c1[N+](=O)[O-].
What is the InChIKey of 4-nitro-5-[4-nitro-3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]-3-(1H-pyrazol-4-yl)-1H-pyrazole?
The InChIKey is LHTOAAGOSOXVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N10O4/c23-21(24)11-7(5-1-13-14-2-5)17-19-9(11)10-12(22(25)26)8(18-20-10)6-3-15-16-4-6/h1-4H,(H,13,14)(H,15,16)(H,17,19)(H,18,20).
What are the key properties of 4-nitro-5-[4-nitro-3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]-3-(1H-pyrazol-4-yl)-1H-pyrazole?
4-nitro-5-[4-nitro-3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]-3-(1H-pyrazol-4-yl)-1H-pyrazole has a molecular weight of 356.26 g/mol, XLogP of 1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-5-[4-nitro-3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]-3-(1H-pyrazol-4-yl)-1H-pyrazole is sourced from PubChem (CID 135399519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).