4-(4-nitropyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole

C7H3F3N4O2S — CID 165479313

IUPAC4-(4-nitropyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESO=[N+]([O-])c1cnn(-c2csc(C(F)(F)F)n2)c1
InChIInChI=1S/C7H3F3N4O2S/c8-7(9,10)6-12-5(3-17-6)13-2-4(1-11-13)14(15)16/h1-3H
InChIKeyXLPUWTMZARWTCN-UHFFFAOYSA-N
MW264.19 g/mol
LogP2.26
Rot. Bonds2

About 4-(4-nitropyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole

4-(4-nitropyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 165479313) has the molecular formula C7H3F3N4O2S and a molecular weight of 264.19 g/mol. Its IUPAC name is 4-(4-nitropyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-nitropyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID165479313
Molecular FormulaC7H3F3N4O2S
Molecular Weight264.19 g/mol
Exact Mass263.99
IUPAC Name4-(4-nitropyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESO=[N+]([O-])c1cnn(-c2csc(C(F)(F)F)n2)c1
InChIInChI=1S/C7H3F3N4O2S/c8-7(9,10)6-12-5(3-17-6)13-2-4(1-11-13)14(15)16/h1-3H
InChIKeyXLPUWTMZARWTCN-UHFFFAOYSA-N
XLogP2.26
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 4-(4-nitropyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(4-nitropyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 165479313) is 4-(4-nitropyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-nitropyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-nitropyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole is O=[N+]([O-])c1cnn(-c2csc(C(F)(F)F)n2)c1.
What is the InChIKey of 4-(4-nitropyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is XLPUWTMZARWTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N4O2S/c8-7(9,10)6-12-5(3-17-6)13-2-4(1-11-13)14(15)16/h1-3H.
What are the key properties of 4-(4-nitropyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
4-(4-nitropyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 264.19 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitropyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 165479313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).