N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide

C15H14Cl2F3N3O2 — CID 43078016

IUPACN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2F3N3O2/c1-9(25-8-15(18,19)20)14(24)22-12-5-6-21-23(12)7-10-3-2-4-11(16)13(10)17/h2-6,9H,7-8H2,1H3,(H,22,24)
InChIKeyLZKALDKHFTYGAL-UHFFFAOYSA-N
MW396.20 g/mol
LogP4.14
Rot. Bonds6

About N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 43078016) has the molecular formula C15H14Cl2F3N3O2 and a molecular weight of 396.20 g/mol. Its IUPAC name is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID43078016
Molecular FormulaC15H14Cl2F3N3O2
Molecular Weight396.20 g/mol
Exact Mass395.04
IUPAC NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2F3N3O2/c1-9(25-8-15(18,19)20)14(24)22-12-5-6-21-23(12)7-10-3-2-4-11(16)13(10)17/h2-6,9H,7-8H2,1H3,(H,22,24)
InChIKeyLZKALDKHFTYGAL-UHFFFAOYSA-N
XLogP4.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.20
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 43078016) is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide is CC(OCC(F)(F)F)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is LZKALDKHFTYGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2F3N3O2/c1-9(25-8-15(18,19)20)14(24)22-12-5-6-21-23(12)7-10-3-2-4-11(16)13(10)17/h2-6,9H,7-8H2,1H3,(H,22,24).
What are the key properties of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 396.20 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 43078016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).