N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide

C12H16F3N3O — CID 121139501

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
SMILESCCC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H16F3N3O/c1-2-11(19)16-5-6-18-9(8-3-4-8)7-10(17-18)12(13,14)15/h7-8H,2-6H2,1H3,(H,16,19)
InChIKeyNSUYESGPMMOKDS-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.31
Rot. Bonds5

About N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide (PubChem CID 121139501) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
PubChem CID121139501
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
SMILESCCC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H16F3N3O/c1-2-11(19)16-5-6-18-9(8-3-4-8)7-10(17-18)12(13,14)15/h7-8H,2-6H2,1H3,(H,16,19)
InChIKeyNSUYESGPMMOKDS-UHFFFAOYSA-N
XLogP2.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide (CID 121139501) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide is CCC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
The InChIKey is NSUYESGPMMOKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-2-11(19)16-5-6-18-9(8-3-4-8)7-10(17-18)12(13,14)15/h7-8H,2-6H2,1H3,(H,16,19).
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide has a molecular weight of 275.27 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide is sourced from PubChem (CID 121139501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).