3-(1,1,2,2,3,3-hexafluoropropoxy)-1-methyl-N-phenylpyrazole-4-carboxamide

C14H11F6N3O2 — CID 87258329

IUPAC3-(1,1,2,2,3,3-hexafluoropropoxy)-1-methyl-N-phenylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2)c(OC(F)(F)C(F)(F)C(F)F)n1
InChIInChI=1S/C14H11F6N3O2/c1-23-7-9(10(24)21-8-5-3-2-4-6-8)11(22-23)25-14(19,20)13(17,18)12(15)16/h2-7,12H,1H3,(H,21,24)
InChIKeyFDSHASUUWVJZMW-UHFFFAOYSA-N
MW367.25 g/mol
LogP3.54
Rot. Bonds6

About 3-(1,1,2,2,3,3-hexafluoropropoxy)-1-methyl-N-phenylpyrazole-4-carboxamide

3-(1,1,2,2,3,3-hexafluoropropoxy)-1-methyl-N-phenylpyrazole-4-carboxamide (PubChem CID 87258329) has the molecular formula C14H11F6N3O2 and a molecular weight of 367.25 g/mol. Its IUPAC name is 3-(1,1,2,2,3,3-hexafluoropropoxy)-1-methyl-N-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(1,1,2,2,3,3-hexafluoropropoxy)-1-methyl-N-phenylpyrazole-4-carboxamide
PubChem CID87258329
Molecular FormulaC14H11F6N3O2
Molecular Weight367.25 g/mol
Exact Mass367.08
IUPAC Name3-(1,1,2,2,3,3-hexafluoropropoxy)-1-methyl-N-phenylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2)c(OC(F)(F)C(F)(F)C(F)F)n1
InChIInChI=1S/C14H11F6N3O2/c1-23-7-9(10(24)21-8-5-3-2-4-6-8)11(22-23)25-14(19,20)13(17,18)12(15)16/h2-7,12H,1H3,(H,21,24)
InChIKeyFDSHASUUWVJZMW-UHFFFAOYSA-N
XLogP3.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-(1,1,2,2,3,3-hexafluoropropoxy)-1-methyl-N-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,3,3-hexafluoropropoxy)-1-methyl-N-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(1,1,2,2,3,3-hexafluoropropoxy)-1-methyl-N-phenylpyrazole-4-carboxamide (CID 87258329) is 3-(1,1,2,2,3,3-hexafluoropropoxy)-1-methyl-N-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(1,1,2,2,3,3-hexafluoropropoxy)-1-methyl-N-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(1,1,2,2,3,3-hexafluoropropoxy)-1-methyl-N-phenylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccccc2)c(OC(F)(F)C(F)(F)C(F)F)n1.
What is the InChIKey of 3-(1,1,2,2,3,3-hexafluoropropoxy)-1-methyl-N-phenylpyrazole-4-carboxamide?
The InChIKey is FDSHASUUWVJZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6N3O2/c1-23-7-9(10(24)21-8-5-3-2-4-6-8)11(22-23)25-14(19,20)13(17,18)12(15)16/h2-7,12H,1H3,(H,21,24).
What are the key properties of 3-(1,1,2,2,3,3-hexafluoropropoxy)-1-methyl-N-phenylpyrazole-4-carboxamide?
3-(1,1,2,2,3,3-hexafluoropropoxy)-1-methyl-N-phenylpyrazole-4-carboxamide has a molecular weight of 367.25 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,3,3-hexafluoropropoxy)-1-methyl-N-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 87258329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).