5-(5-nitro-2-pyrazol-1-ylphenyl)-2H-tetrazole

C10H7N7O2 — CID 593441

IUPAC5-(5-nitro-2-pyrazol-1-ylphenyl)-2H-tetrazole
SMILESO=[N+]([O-])c1ccc(-n2cccn2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C10H7N7O2/c18-17(19)7-2-3-9(16-5-1-4-11-16)8(6-7)10-12-14-15-13-10/h1-6H,(H,12,13,14,15)
InChIKeyTTXMHOWZNPDSJM-UHFFFAOYSA-N
MW257.21 g/mol
LogP0.96
Rot. Bonds3

About 5-(5-nitro-2-pyrazol-1-ylphenyl)-2H-tetrazole

5-(5-nitro-2-pyrazol-1-ylphenyl)-2H-tetrazole (PubChem CID 593441) has the molecular formula C10H7N7O2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 5-(5-nitro-2-pyrazol-1-ylphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(5-nitro-2-pyrazol-1-ylphenyl)-2H-tetrazole
PubChem CID593441
Molecular FormulaC10H7N7O2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name5-(5-nitro-2-pyrazol-1-ylphenyl)-2H-tetrazole
SMILESO=[N+]([O-])c1ccc(-n2cccn2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C10H7N7O2/c18-17(19)7-2-3-9(16-5-1-4-11-16)8(6-7)10-12-14-15-13-10/h1-6H,(H,12,13,14,15)
InChIKeyTTXMHOWZNPDSJM-UHFFFAOYSA-N
XLogP0.96
TPSA115.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-nitrophenyl]-1H-tetrazole
CID 695270
5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-1H-tetrazole
CID 702964
5-(1-(4-(Trifluoromethyl)phenyl)-1h-pyrazol-4-yl)-1h-tetrazole
CID 146170631
5-(1-(2-(Trifluoromethyl)phenyl)-1h-pyrazol-4-yl)-1h-tetrazole
CID 146170636
5-(1-Phenyl-1h-pyrazol-4-yl)-1h-tetrazole
CID 71519406
5-[4-methyl-3-(1H-pyrazol-1-yl)phenyl]-2H-tetrazole
CID 49874553
1-[4-nitro-2-(trifluoromethyl)phenyl]-1H-pyrazole
CID 45588245
3-nitro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazole
CID 66587483
5-[5-nitro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-tetrazole
CID 138696255
5-[5-nitro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-tetrazole
CID 138696352
3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 138696419
3-(2H-tetrazol-5-yl)-4-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 138696771

Frequently Asked Questions

What is the IUPAC name of 5-(5-nitro-2-pyrazol-1-ylphenyl)-2H-tetrazole?
The IUPAC name of 5-(5-nitro-2-pyrazol-1-ylphenyl)-2H-tetrazole (CID 593441) is 5-(5-nitro-2-pyrazol-1-ylphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(5-nitro-2-pyrazol-1-ylphenyl)-2H-tetrazole?
The canonical SMILES for 5-(5-nitro-2-pyrazol-1-ylphenyl)-2H-tetrazole is O=[N+]([O-])c1ccc(-n2cccn2)c(-c2nn[nH]n2)c1.
What is the InChIKey of 5-(5-nitro-2-pyrazol-1-ylphenyl)-2H-tetrazole?
The InChIKey is TTXMHOWZNPDSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N7O2/c18-17(19)7-2-3-9(16-5-1-4-11-16)8(6-7)10-12-14-15-13-10/h1-6H,(H,12,13,14,15).
What are the key properties of 5-(5-nitro-2-pyrazol-1-ylphenyl)-2H-tetrazole?
5-(5-nitro-2-pyrazol-1-ylphenyl)-2H-tetrazole has a molecular weight of 257.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-nitro-2-pyrazol-1-ylphenyl)-2H-tetrazole is sourced from PubChem (CID 593441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).