N-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide

C17H16ClF2N3O2 — CID 19526729

IUPACN-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)cc1
InChIInChI=1S/C17H16ClF2N3O2/c1-9(24)10-4-6-12(7-5-10)21-13(25)8-23-16(11-2-3-11)14(18)15(22-23)17(19)20/h4-7,11,17H,2-3,8H2,1H3,(H,21,25)
InChIKeyGMGLRNGQAVZXOC-UHFFFAOYSA-N
MW367.78 g/mol
LogP4.19
Rot. Bonds6

About N-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide

N-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19526729) has the molecular formula C17H16ClF2N3O2 and a molecular weight of 367.78 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19526729
Molecular FormulaC17H16ClF2N3O2
Molecular Weight367.78 g/mol
Exact Mass367.09
IUPAC NameN-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)cc1
InChIInChI=1S/C17H16ClF2N3O2/c1-9(24)10-4-6-12(7-5-10)21-13(25)8-23-16(11-2-3-11)14(18)15(22-23)17(19)20/h4-7,11,17H,2-3,8H2,1H3,(H,21,25)
InChIKeyGMGLRNGQAVZXOC-UHFFFAOYSA-N
XLogP4.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.78
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-phenylacetamide
CID 19526769
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 19526692
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(3-methoxy-5-nitrophenyl)acetamide
CID 19526775
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19526817
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19526872
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19526870
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]acetamide
CID 19526821
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide
CID 19294628
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 19526798
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19526889
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 19523919
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19526888

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide (CID 19526729) is N-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide is CC(=O)c1ccc(NC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is GMGLRNGQAVZXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N3O2/c1-9(24)10-4-6-12(7-5-10)21-13(25)8-23-16(11-2-3-11)14(18)15(22-23)17(19)20/h4-7,11,17H,2-3,8H2,1H3,(H,21,25).
What are the key properties of N-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide?
N-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 367.78 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19526729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).