N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide

C7H7ClF3N3O — CID 19322820

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCn1ncc(Cl)c1CNC(=O)C(F)(F)F
InChIInChI=1S/C7H7ClF3N3O/c1-14-5(4(8)2-13-14)3-12-6(15)7(9,10)11/h2H,3H2,1H3,(H,12,15)
InChIKeyHXBQRKORWVXYAQ-UHFFFAOYSA-N
MW241.60 g/mol
LogP1.25
Rot. Bonds2

About N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 19322820) has the molecular formula C7H7ClF3N3O and a molecular weight of 241.60 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID19322820
Molecular FormulaC7H7ClF3N3O
Molecular Weight241.60 g/mol
Exact Mass241.02
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCn1ncc(Cl)c1CNC(=O)C(F)(F)F
InChIInChI=1S/C7H7ClF3N3O/c1-14-5(4(8)2-13-14)3-12-6(15)7(9,10)11/h2H,3H2,1H3,(H,12,15)
InChIKeyHXBQRKORWVXYAQ-UHFFFAOYSA-N
XLogP1.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide (CID 19322820) is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide is Cn1ncc(Cl)c1CNC(=O)C(F)(F)F.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is HXBQRKORWVXYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O/c1-14-5(4(8)2-13-14)3-12-6(15)7(9,10)11/h2H,3H2,1H3,(H,12,15).
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 241.60 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 19322820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).