3,5-dimethyl-1-phenyl-N'-(2,2,2-trifluoroacetyl)pyrazole-4-carbohydrazide

C14H13F3N4O2 — CID 2740689

IUPAC3,5-dimethyl-1-phenyl-N'-(2,2,2-trifluoroacetyl)pyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NNC(=O)C(F)(F)F
InChIInChI=1S/C14H13F3N4O2/c1-8-11(12(22)18-19-13(23)14(15,16)17)9(2)21(20-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,18,22)(H,19,23)
InChIKeyFYDJBMXQJDAQQD-UHFFFAOYSA-N
MW326.28 g/mol
LogP1.81
Rot. Bonds2

About 3,5-dimethyl-1-phenyl-N'-(2,2,2-trifluoroacetyl)pyrazole-4-carbohydrazide

3,5-dimethyl-1-phenyl-N'-(2,2,2-trifluoroacetyl)pyrazole-4-carbohydrazide (PubChem CID 2740689) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-N'-(2,2,2-trifluoroacetyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-N'-(2,2,2-trifluoroacetyl)pyrazole-4-carbohydrazide
PubChem CID2740689
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name3,5-dimethyl-1-phenyl-N'-(2,2,2-trifluoroacetyl)pyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NNC(=O)C(F)(F)F
InChIInChI=1S/C14H13F3N4O2/c1-8-11(12(22)18-19-13(23)14(15,16)17)9(2)21(20-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,18,22)(H,19,23)
InChIKeyFYDJBMXQJDAQQD-UHFFFAOYSA-N
XLogP1.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-N'-(2,2,2-trifluoroacetyl)pyrazole-4-carbohydrazide?
The IUPAC name of 3,5-dimethyl-1-phenyl-N'-(2,2,2-trifluoroacetyl)pyrazole-4-carbohydrazide (CID 2740689) is 3,5-dimethyl-1-phenyl-N'-(2,2,2-trifluoroacetyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-N'-(2,2,2-trifluoroacetyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 3,5-dimethyl-1-phenyl-N'-(2,2,2-trifluoroacetyl)pyrazole-4-carbohydrazide is Cc1nn(-c2ccccc2)c(C)c1C(=O)NNC(=O)C(F)(F)F.
What is the InChIKey of 3,5-dimethyl-1-phenyl-N'-(2,2,2-trifluoroacetyl)pyrazole-4-carbohydrazide?
The InChIKey is FYDJBMXQJDAQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c1-8-11(12(22)18-19-13(23)14(15,16)17)9(2)21(20-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 3,5-dimethyl-1-phenyl-N'-(2,2,2-trifluoroacetyl)pyrazole-4-carbohydrazide?
3,5-dimethyl-1-phenyl-N'-(2,2,2-trifluoroacetyl)pyrazole-4-carbohydrazide has a molecular weight of 326.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenyl-N'-(2,2,2-trifluoroacetyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 2740689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).