1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide

C12H11F3N4O2 — CID 3287199

IUPAC1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESCOc1ccccc1-n1ncc(C(=O)NN)c1C(F)(F)F
InChIInChI=1S/C12H11F3N4O2/c1-21-9-5-3-2-4-8(9)19-10(12(13,14)15)7(6-17-19)11(20)18-16/h2-6H,16H2,1H3,(H,18,20)
InChIKeyREQSCFGCDHTAIP-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.50
Rot. Bonds3

About 1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide

1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide (PubChem CID 3287199) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
PubChem CID3287199
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESCOc1ccccc1-n1ncc(C(=O)NN)c1C(F)(F)F
InChIInChI=1S/C12H11F3N4O2/c1-21-9-5-3-2-4-8(9)19-10(12(13,14)15)7(6-17-19)11(20)18-16/h2-6H,16H2,1H3,(H,18,20)
InChIKeyREQSCFGCDHTAIP-UHFFFAOYSA-N
XLogP1.50
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The IUPAC name of 1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide (CID 3287199) is 1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide is COc1ccccc1-n1ncc(C(=O)NN)c1C(F)(F)F.
What is the InChIKey of 1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The InChIKey is REQSCFGCDHTAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-21-9-5-3-2-4-8(9)19-10(12(13,14)15)7(6-17-19)11(20)18-16/h2-6H,16H2,1H3,(H,18,20).
What are the key properties of 1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide has a molecular weight of 300.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 3287199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).