N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C11H15ClF3N3O — CID 4037655

IUPACN-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C11H15ClF3N3O/c1-3-4-5-16-8(19)6-18-7(2)9(12)10(17-18)11(13,14)15/h3-6H2,1-2H3,(H,16,19)
InChIKeyDLVFVTWFXRCLQH-UHFFFAOYSA-N
MW297.71 g/mol
LogP2.78
Rot. Bonds5

About N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 4037655) has the molecular formula C11H15ClF3N3O and a molecular weight of 297.71 g/mol. Its IUPAC name is N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID4037655
Molecular FormulaC11H15ClF3N3O
Molecular Weight297.71 g/mol
Exact Mass297.09
IUPAC NameN-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C11H15ClF3N3O/c1-3-4-5-16-8(19)6-18-7(2)9(12)10(17-18)11(13,14)15/h3-6H2,1-2H3,(H,16,19)
InChIKeyDLVFVTWFXRCLQH-UHFFFAOYSA-N
XLogP2.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 4037655) is N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCCCNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C.
What is the InChIKey of N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is DLVFVTWFXRCLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O/c1-3-4-5-16-8(19)6-18-7(2)9(12)10(17-18)11(13,14)15/h3-6H2,1-2H3,(H,16,19).
What are the key properties of N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 297.71 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 4037655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).