2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide

C16H17ClF3N3O2 — CID 19549439

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)n1nc(C)c(Cl)c1C
InChIInChI=1S/C16H17ClF3N3O2/c1-4-13(23-10(3)14(17)9(2)22-23)15(24)21-11-5-7-12(8-6-11)25-16(18,19)20/h5-8,13H,4H2,1-3H3,(H,21,24)
InChIKeyUFIMKYXWRNUOBJ-UHFFFAOYSA-N
MW375.78 g/mol
LogP4.64
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide (PubChem CID 19549439) has the molecular formula C16H17ClF3N3O2 and a molecular weight of 375.78 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
PubChem CID19549439
Molecular FormulaC16H17ClF3N3O2
Molecular Weight375.78 g/mol
Exact Mass375.10
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)n1nc(C)c(Cl)c1C
InChIInChI=1S/C16H17ClF3N3O2/c1-4-13(23-10(3)14(17)9(2)22-23)15(24)21-11-5-7-12(8-6-11)25-16(18,19)20/h5-8,13H,4H2,1-3H3,(H,21,24)
InChIKeyUFIMKYXWRNUOBJ-UHFFFAOYSA-N
XLogP4.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide (CID 19549439) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide is CCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)n1nc(C)c(Cl)c1C.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is UFIMKYXWRNUOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF3N3O2/c1-4-13(23-10(3)14(17)9(2)22-23)15(24)21-11-5-7-12(8-6-11)25-16(18,19)20/h5-8,13H,4H2,1-3H3,(H,21,24).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 375.78 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 19549439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).