N-cyclopentyl-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide

C20H24F3N3O — CID 121020231

IUPACN-cyclopentyl-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
SMILESO=C(CCc1ccccc1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C20H24F3N3O/c21-20(22,23)18-12-13-25(24-18)14-15-26(17-8-4-5-9-17)19(27)11-10-16-6-2-1-3-7-16/h1-3,6-7,12-13,17H,4-5,8-11,14-15H2
InChIKeyWZWBRTDMRNORMQ-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.31
Rot. Bonds7

About N-cyclopentyl-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide

N-cyclopentyl-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide (PubChem CID 121020231) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is N-cyclopentyl-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
PubChem CID121020231
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC NameN-cyclopentyl-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
SMILESO=C(CCc1ccccc1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C20H24F3N3O/c21-20(22,23)18-12-13-25(24-18)14-15-26(17-8-4-5-9-17)19(27)11-10-16-6-2-1-3-7-16/h1-3,6-7,12-13,17H,4-5,8-11,14-15H2
InChIKeyWZWBRTDMRNORMQ-UHFFFAOYSA-N
XLogP4.31
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
The IUPAC name of N-cyclopentyl-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide (CID 121020231) is N-cyclopentyl-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
The canonical SMILES for N-cyclopentyl-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide is O=C(CCc1ccccc1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
The InChIKey is WZWBRTDMRNORMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c21-20(22,23)18-12-13-25(24-18)14-15-26(17-8-4-5-9-17)19(27)11-10-16-6-2-1-3-7-16/h1-3,6-7,12-13,17H,4-5,8-11,14-15H2.
What are the key properties of N-cyclopentyl-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
N-cyclopentyl-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide has a molecular weight of 379.43 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide is sourced from PubChem (CID 121020231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).