5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(4-nitrophenyl)triazol-4-amine

C17H12FN7O2 — CID 10872235

IUPAC5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(4-nitrophenyl)triazol-4-amine
SMILESNc1c(-c2cc(-c3ccc(F)cc3)n[nH]2)nnn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H12FN7O2/c18-11-3-1-10(2-4-11)14-9-15(21-20-14)16-17(19)24(23-22-16)12-5-7-13(8-6-12)25(26)27/h1-9H,19H2,(H,20,21)
InChIKeyFDQTWSLNGNYBQR-UHFFFAOYSA-N
MW365.33 g/mol
LogP2.95
Rot. Bonds4

About 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(4-nitrophenyl)triazol-4-amine

5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(4-nitrophenyl)triazol-4-amine (PubChem CID 10872235) has the molecular formula C17H12FN7O2 and a molecular weight of 365.33 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(4-nitrophenyl)triazol-4-amine.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(4-nitrophenyl)triazol-4-amine
PubChem CID10872235
Molecular FormulaC17H12FN7O2
Molecular Weight365.33 g/mol
Exact Mass365.10
IUPAC Name5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(4-nitrophenyl)triazol-4-amine
SMILESNc1c(-c2cc(-c3ccc(F)cc3)n[nH]2)nnn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H12FN7O2/c18-11-3-1-10(2-4-11)14-9-15(21-20-14)16-17(19)24(23-22-16)12-5-7-13(8-6-12)25(26)27/h1-9H,19H2,(H,20,21)
InChIKeyFDQTWSLNGNYBQR-UHFFFAOYSA-N
XLogP2.95
TPSA128.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
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

3,5-bis(4-fluorophenyl)triazol-4-amine
CID 82370214
5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine
CID 82370210
3-(4-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370208
3-(4-iodophenyl)-5-(4-nitrophenyl)-1H-pyrazole
CID 135421478
5-amino-1-(4-nitrophenyl)triazole-4-carbonitrile
CID 2748762
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-nitro-1H-benzimidazole
CID 136929754
5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine
CID 172619087
3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine
CID 82370255
5-amino-1-(4-nitrophenyl)triazole-4-carboxylic acid
CID 66524061
[4-(4-fluorophenyl)-6-(4-nitrophenyl)pyrimidin-2-yl]urea
CID 46704086
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034257
6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308052

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(4-nitrophenyl)triazol-4-amine?
The IUPAC name of 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(4-nitrophenyl)triazol-4-amine (CID 10872235) is 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(4-nitrophenyl)triazol-4-amine.
What is the SMILES notation for 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(4-nitrophenyl)triazol-4-amine?
The canonical SMILES for 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(4-nitrophenyl)triazol-4-amine is Nc1c(-c2cc(-c3ccc(F)cc3)n[nH]2)nnn1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(4-nitrophenyl)triazol-4-amine?
The InChIKey is FDQTWSLNGNYBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN7O2/c18-11-3-1-10(2-4-11)14-9-15(21-20-14)16-17(19)24(23-22-16)12-5-7-13(8-6-12)25(26)27/h1-9H,19H2,(H,20,21).
What are the key properties of 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(4-nitrophenyl)triazol-4-amine?
5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(4-nitrophenyl)triazol-4-amine has a molecular weight of 365.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(4-nitrophenyl)triazol-4-amine is sourced from PubChem (CID 10872235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).