N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide

C15H15ClF3N3O2 — CID 43077947

IUPACN-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClF3N3O2/c1-10(24-9-15(17,18)19)14(23)21-13-6-7-20-22(13)8-11-2-4-12(16)5-3-11/h2-7,10H,8-9H2,1H3,(H,21,23)
InChIKeyAMRUPJCYWZDGFS-UHFFFAOYSA-N
MW361.75 g/mol
LogP3.49
Rot. Bonds6

About N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide

N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 43077947) has the molecular formula C15H15ClF3N3O2 and a molecular weight of 361.75 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID43077947
Molecular FormulaC15H15ClF3N3O2
Molecular Weight361.75 g/mol
Exact Mass361.08
IUPAC NameN-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClF3N3O2/c1-10(24-9-15(17,18)19)14(23)21-13-6-7-20-22(13)8-11-2-4-12(16)5-3-11/h2-7,10H,8-9H2,1H3,(H,21,23)
InChIKeyAMRUPJCYWZDGFS-UHFFFAOYSA-N
XLogP3.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 43077947) is N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide is CC(OCC(F)(F)F)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is AMRUPJCYWZDGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O2/c1-10(24-9-15(17,18)19)14(23)21-13-6-7-20-22(13)8-11-2-4-12(16)5-3-11/h2-7,10H,8-9H2,1H3,(H,21,23).
What are the key properties of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 361.75 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 43077947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).