2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide

C16H18ClF3N4O — CID 55924095

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1nn(CC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c(C)c1Cl
InChIInChI=1S/C16H18ClF3N4O/c1-9-15(17)10(2)24(22-9)8-14(25)21-12-7-11(16(18,19)20)5-6-13(12)23(3)4/h5-7H,8H2,1-4H3,(H,21,25)
InChIKeyJUMCLUWHLFUYCM-UHFFFAOYSA-N
MW374.79 g/mol
LogP3.88
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 55924095) has the molecular formula C16H18ClF3N4O and a molecular weight of 374.79 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID55924095
Molecular FormulaC16H18ClF3N4O
Molecular Weight374.79 g/mol
Exact Mass374.11
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1nn(CC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c(C)c1Cl
InChIInChI=1S/C16H18ClF3N4O/c1-9-15(17)10(2)24(22-9)8-14(25)21-12-7-11(16(18,19)20)5-6-13(12)23(3)4/h5-7H,8H2,1-4H3,(H,21,25)
InChIKeyJUMCLUWHLFUYCM-UHFFFAOYSA-N
XLogP3.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.79
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide
CID 131944002
N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 62129491
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 51152144
N-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 60546437
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)phenyl]acetamide
CID 106759281
1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 75434254
N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914827
1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide
CID 119832122
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 112766844
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30444667

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide (CID 55924095) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide is Cc1nn(CC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JUMCLUWHLFUYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N4O/c1-9-15(17)10(2)24(22-9)8-14(25)21-12-7-11(16(18,19)20)5-6-13(12)23(3)4/h5-7H,8H2,1-4H3,(H,21,25).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 374.79 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55924095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).