2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C13H11ClF3N3O2 — CID 19520566

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1c(Cl)cnn1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H11ClF3N3O2/c1-8-11(14)6-18-20(8)7-12(21)19-9-2-4-10(5-3-9)22-13(15,16)17/h2-6H,7H2,1H3,(H,19,21)
InChIKeyNFUIWRZPDGYURF-UHFFFAOYSA-N
MW333.70 g/mol
LogP3.38
Rot. Bonds4

About 2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 19520566) has the molecular formula C13H11ClF3N3O2 and a molecular weight of 333.70 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID19520566
Molecular FormulaC13H11ClF3N3O2
Molecular Weight333.70 g/mol
Exact Mass333.05
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1c(Cl)cnn1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H11ClF3N3O2/c1-8-11(14)6-18-20(8)7-12(21)19-9-2-4-10(5-3-9)22-13(15,16)17/h2-6H,7H2,1H3,(H,19,21)
InChIKeyNFUIWRZPDGYURF-UHFFFAOYSA-N
XLogP3.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.70
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 176939055
2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 90542362
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 19520612
2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60548314
3-(5-methyl-4-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 19568020
2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 17024466
2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16846137
2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 75390344
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520530
2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]acetamide
CID 19520658
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2408214
2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 41376766

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 19520566) is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is Cc1c(Cl)cnn1CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is NFUIWRZPDGYURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O2/c1-8-11(14)6-18-20(8)7-12(21)19-9-2-4-10(5-3-9)22-13(15,16)17/h2-6H,7H2,1H3,(H,19,21).
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 333.70 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 19520566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).