3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide

C22H20F3N3O — CID 18270656

IUPAC3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H20F3N3O/c1-14(16-6-5-7-17(12-16)22(23,24)25)26-21(29)20-13-19(15-10-11-15)27-28(20)18-8-3-2-4-9-18/h2-9,12-15H,10-11H2,1H3,(H,26,29)
InChIKeyXCJNIZCUMNKIDL-UHFFFAOYSA-N
MW399.42 g/mol
LogP5.26
Rot. Bonds5

About 3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide

3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide (PubChem CID 18270656) has the molecular formula C22H20F3N3O and a molecular weight of 399.42 g/mol. Its IUPAC name is 3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide
PubChem CID18270656
Molecular FormulaC22H20F3N3O
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H20F3N3O/c1-14(16-6-5-7-17(12-16)22(23,24)25)26-21(29)20-13-19(15-10-11-15)27-28(20)18-8-3-2-4-9-18/h2-9,12-15H,10-11H2,1H3,(H,26,29)
InChIKeyXCJNIZCUMNKIDL-UHFFFAOYSA-N
XLogP5.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.42
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 42916203
3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide
CID 41078982
3,5-dimethyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 112763965
3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18161045
3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide
CID 18207609
N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
CID 86292051
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 11689324
N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 167473447
2,5-dimethyl-1-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrole-3-carboxamide
CID 112764014

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide (CID 18270656) is 3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide is CC(NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide?
The InChIKey is XCJNIZCUMNKIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O/c1-14(16-6-5-7-17(12-16)22(23,24)25)26-21(29)20-13-19(15-10-11-15)27-28(20)18-8-3-2-4-9-18/h2-9,12-15H,10-11H2,1H3,(H,26,29).
What are the key properties of 3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide?
3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide has a molecular weight of 399.42 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 18270656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).