2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C8H9ClF3N3O — CID 71844374

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1c(Cl)cnn1CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H9ClF3N3O/c1-5-6(9)2-14-15(5)3-7(16)13-4-8(10,11)12/h2H,3-4H2,1H3,(H,13,16)
InChIKeyKLKKEUVIYBAEPU-UHFFFAOYSA-N
MW255.63 g/mol
LogP1.52
Rot. Bonds3

About 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71844374) has the molecular formula C8H9ClF3N3O and a molecular weight of 255.63 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71844374
Molecular FormulaC8H9ClF3N3O
Molecular Weight255.63 g/mol
Exact Mass255.04
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1c(Cl)cnn1CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H9ClF3N3O/c1-5-6(9)2-14-15(5)3-7(16)13-4-8(10,11)12/h2H,3-4H2,1H3,(H,13,16)
InChIKeyKLKKEUVIYBAEPU-UHFFFAOYSA-N
XLogP1.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(butan-2-yl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3124864
N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 4037655
4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19263348
2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanamide
CID 25248320
(2S)-N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 164632461
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(propan-2-yl)propanamide
CID 4772551
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 19579656
N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530990
2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 90105005
N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 116621339
2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide
CID 163220331
2-(4-chloropyrazol-1-yl)-N-(4,4-difluorobut-3-enyl)acetamide
CID 163220333

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 71844374) is 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1c(Cl)cnn1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KLKKEUVIYBAEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O/c1-5-6(9)2-14-15(5)3-7(16)13-4-8(10,11)12/h2H,3-4H2,1H3,(H,13,16).
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 255.63 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71844374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).