N,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide

C14H14F3N3O — CID 58329673

IUPACN,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1
InChIInChI=1S/C14H14F3N3O/c1-20(2)13(21)7-9-3-5-10(6-4-9)11-8-12(19-18-11)14(15,16)17/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKeyLLQDUJUFSIRXQE-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.73
Rot. Bonds3

About N,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide

N,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide (PubChem CID 58329673) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide
PubChem CID58329673
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1
InChIInChI=1S/C14H14F3N3O/c1-20(2)13(21)7-9-3-5-10(6-4-9)11-8-12(19-18-11)14(15,16)17/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKeyLLQDUJUFSIRXQE-UHFFFAOYSA-N
XLogP2.73
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870913
Celecoxib N-des(benzenesulfonamide)
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N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654751
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 23654752
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 23654832
3-(4-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
CID 762942
N-isopropyl-3-(5-(4-((2,2,2-trifluoroethylamino)methyl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 53324197
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 23654664
2-(3,5-Diethyl-1H-pyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 57737871
2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 57737876
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 57737878
Cyclohex-3-en-1-yl-[3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 45223381

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide (CID 58329673) is N,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide is CN(C)C(=O)Cc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide?
The InChIKey is LLQDUJUFSIRXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-20(2)13(21)7-9-3-5-10(6-4-9)11-8-12(19-18-11)14(15,16)17/h3-6,8H,7H2,1-2H3,(H,18,19).
What are the key properties of N,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide?
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide has a molecular weight of 297.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 58329673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).