N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide

C6H5ClF3N3O — CID 21071162

IUPACN-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide
SMILESCc1[nH]nc(NC(=O)C(F)(F)F)c1Cl
InChIInChI=1S/C6H5ClF3N3O/c1-2-3(7)4(13-12-2)11-5(14)6(8,9)10/h1H3,(H2,11,12,13,14)
InChIKeyYFLRDYPWQHIZGD-UHFFFAOYSA-N
MW227.57 g/mol
LogP1.87
Rot. Bonds1

About N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide

N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 21071162) has the molecular formula C6H5ClF3N3O and a molecular weight of 227.57 g/mol. Its IUPAC name is N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide
PubChem CID21071162
Molecular FormulaC6H5ClF3N3O
Molecular Weight227.57 g/mol
Exact Mass227.01
IUPAC NameN-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide
SMILESCc1[nH]nc(NC(=O)C(F)(F)F)c1Cl
InChIInChI=1S/C6H5ClF3N3O/c1-2-3(7)4(13-12-2)11-5(14)6(8,9)10/h1H3,(H2,11,12,13,14)
InChIKeyYFLRDYPWQHIZGD-UHFFFAOYSA-N
XLogP1.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.57
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Trifluoroacetylamino-5-methylpyrazole
CID 15312520
N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
CID 86717284
N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
CID 47474927
N-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 59492290
N-[4-iodo-3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
CID 86717285
ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
CID 144617155
3,3,3-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 60974181
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide
CID 80359699
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutanamide
CID 80360489
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310308
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide
CID 103514075
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide
CID 103733516

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide (CID 21071162) is N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide is Cc1[nH]nc(NC(=O)C(F)(F)F)c1Cl.
What is the InChIKey of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is YFLRDYPWQHIZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3N3O/c1-2-3(7)4(13-12-2)11-5(14)6(8,9)10/h1H3,(H2,11,12,13,14).
What are the key properties of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide?
N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 227.57 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 21071162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).