4-nitro-3,5-bis(1H-pyrazol-4-yl)-1H-pyrazole

C9H7N7O2 — CID 3112996

IUPAC4-nitro-3,5-bis(1H-pyrazol-4-yl)-1H-pyrazole
SMILESO=[N+]([O-])c1c(-c2cn[nH]c2)n[nH]c1-c1cn[nH]c1
InChIInChI=1S/C9H7N7O2/c17-16(18)9-7(5-1-10-11-2-5)14-15-8(9)6-3-12-13-4-6/h1-4H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyOMPHEYNAVULYPH-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.10
Rot. Bonds3

About 4-nitro-3,5-bis(1H-pyrazol-4-yl)-1H-pyrazole

4-nitro-3,5-bis(1H-pyrazol-4-yl)-1H-pyrazole (PubChem CID 3112996) has the molecular formula C9H7N7O2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 4-nitro-3,5-bis(1H-pyrazol-4-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-nitro-3,5-bis(1H-pyrazol-4-yl)-1H-pyrazole
PubChem CID3112996
Molecular FormulaC9H7N7O2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name4-nitro-3,5-bis(1H-pyrazol-4-yl)-1H-pyrazole
SMILESO=[N+]([O-])c1c(-c2cn[nH]c2)n[nH]c1-c1cn[nH]c1
InChIInChI=1S/C9H7N7O2/c17-16(18)9-7(5-1-10-11-2-5)14-15-8(9)6-3-12-13-4-6/h1-4H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyOMPHEYNAVULYPH-UHFFFAOYSA-N
XLogP1.10
TPSA129.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.10
H-Bond Donors ≤ 53
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'}

Analyze 4-nitro-3,5-bis(1H-pyrazol-4-yl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3,5-Bis(4-methylpyrazolyl)-4-methylpyrazole
CID 129651009
4-nitroso-5-(1H-pyrazol-4-yl)-1H-pyrazole
CID 89063481
4,4'-dinitro-3,3'-bis(1H-pyrazole)
CID 3089388
1-Methyl-4-[3-(1-methylpyrazol-4-yl)-4-nitropyrazol-5-yl]pyrazole
CID 17382668
[4-(4-methyl-1H-pyrazol-5-yl)-1,2,5-oxadiazol-3-yl]methanamine
CID 95936360
4-Nitro-3-(4-nitro-5-pyrazol-4-ylpyrazol-3-yl)-5-pyrazol-4-ylpyrazole
CID 135399519
5-(4-nitro-1H-pyrazol-3-yl)-1H-pyrazol-4-amine
CID 165685407

Frequently Asked Questions

What is the IUPAC name of 4-nitro-3,5-bis(1H-pyrazol-4-yl)-1H-pyrazole?
The IUPAC name of 4-nitro-3,5-bis(1H-pyrazol-4-yl)-1H-pyrazole (CID 3112996) is 4-nitro-3,5-bis(1H-pyrazol-4-yl)-1H-pyrazole.
What is the SMILES notation for 4-nitro-3,5-bis(1H-pyrazol-4-yl)-1H-pyrazole?
The canonical SMILES for 4-nitro-3,5-bis(1H-pyrazol-4-yl)-1H-pyrazole is O=[N+]([O-])c1c(-c2cn[nH]c2)n[nH]c1-c1cn[nH]c1.
What is the InChIKey of 4-nitro-3,5-bis(1H-pyrazol-4-yl)-1H-pyrazole?
The InChIKey is OMPHEYNAVULYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N7O2/c17-16(18)9-7(5-1-10-11-2-5)14-15-8(9)6-3-12-13-4-6/h1-4H,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 4-nitro-3,5-bis(1H-pyrazol-4-yl)-1H-pyrazole?
4-nitro-3,5-bis(1H-pyrazol-4-yl)-1H-pyrazole has a molecular weight of 245.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-3,5-bis(1H-pyrazol-4-yl)-1H-pyrazole is sourced from PubChem (CID 3112996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).