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

C11H11ClF3N5O — CID 19521190

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
SMILESCc1nn(CC(=O)Nc2c(C(F)(F)F)n[nH]c2C)cc1Cl
InChIInChI=1S/C11H11ClF3N5O/c1-5-7(12)3-20(19-5)4-8(21)16-9-6(2)17-18-10(9)11(13,14)15/h3H,4H2,1-2H3,(H,16,21)(H,17,18)
InChIKeyPUZVDMBIAFEDBA-UHFFFAOYSA-N
MW321.69 g/mol
LogP2.53
Rot. Bonds3

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

2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide (PubChem CID 19521190) has the molecular formula C11H11ClF3N5O and a molecular weight of 321.69 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
PubChem CID19521190
Molecular FormulaC11H11ClF3N5O
Molecular Weight321.69 g/mol
Exact Mass321.06
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
SMILESCc1nn(CC(=O)Nc2c(C(F)(F)F)n[nH]c2C)cc1Cl
InChIInChI=1S/C11H11ClF3N5O/c1-5-7(12)3-20(19-5)4-8(21)16-9-6(2)17-18-10(9)11(13,14)15/h3H,4H2,1-2H3,(H,16,21)(H,17,18)
InChIKeyPUZVDMBIAFEDBA-UHFFFAOYSA-N
XLogP2.53
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.69
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
CID 19585384
2-[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 4770756
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 4772844
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 19579656
2-(4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-1-(6,7-dihydro-1H-pyrazolo[4,3-b]pyridin-4(5H)-yl)ethanone
CID 86711671
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-penta-1,3-dien-3-ylpyrazol-4-yl)acetamide
CID 123418040
1H-Pyrazole-1-acetamide, 4-chloro-3,5-dimethyl-N-[1-(1-methylethyl)-1H-pyrazol-4-yl]-
CID 5303558
2-[4-Chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-YL]-N-(1,3,5-trimethyl-1H-pyrazol-4-YL)propanamide
CID 4769407
2-[4-Chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-YL]-N-[(1-ethyl-1H-pyrazol-4-YL)methyl]-N-methylacetamide
CID 4769868
2-[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 4770058
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 4770084
2-[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(1,3-dimethyl-1H-pyrazol-4-yl)propanamide
CID 4770541

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide (CID 19521190) is 2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide is Cc1nn(CC(=O)Nc2c(C(F)(F)F)n[nH]c2C)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide?
The InChIKey is PUZVDMBIAFEDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N5O/c1-5-7(12)3-20(19-5)4-8(21)16-9-6(2)17-18-10(9)11(13,14)15/h3H,4H2,1-2H3,(H,16,21)(H,17,18).
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide?
2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide has a molecular weight of 321.69 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 19521190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).