N-[2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide

C19H15F4N3O — CID 136664345

IUPACN-[2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1-n1nc(-c2ccc(F)cc2)cc1C
InChIInChI=1S/C19H15F4N3O/c1-11-9-17(13-3-6-15(20)7-4-13)25-26(11)18-10-14(19(21,22)23)5-8-16(18)24-12(2)27/h3-10H,1-2H3,(H,24,27)
InChIKeyXUPMFBFXXRVAFG-UHFFFAOYSA-N
MW377.34 g/mol
LogP4.96
Rot. Bonds3

About N-[2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide

N-[2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 136664345) has the molecular formula C19H15F4N3O and a molecular weight of 377.34 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide
PubChem CID136664345
Molecular FormulaC19H15F4N3O
Molecular Weight377.34 g/mol
Exact Mass377.12
IUPAC NameN-[2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1-n1nc(-c2ccc(F)cc2)cc1C
InChIInChI=1S/C19H15F4N3O/c1-11-9-17(13-3-6-15(20)7-4-13)25-26(11)18-10-14(19(21,22)23)5-8-16(18)24-12(2)27/h3-10H,1-2H3,(H,24,27)
InChIKeyXUPMFBFXXRVAFG-UHFFFAOYSA-N
XLogP4.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpyrazolyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 856236
N-[1-(3,4-Dimethyl-phenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-propionamide
CID 1078895
N-{4-[2-(4-Bromo-phenyl)-5-trifluoromethyl-2H-pyrazol-3-yl]-phenyl}-acetamide
CID 10093810
N-(2-anilinophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 44313241
5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid m-tolylamide
CID 44313510
N-(2,6-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 44313570
N-(4-fluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 44313572
4-(3-(1-methyl-1H-pyrazol-5-yl)phenyl)-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 53316798
n-({4-[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]phenyl}methyl)propanamide
CID 50992932
N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]acetamide
CID 50992933
N-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetamide
CID 766972
N-(4-methylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 798507

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide (CID 136664345) is N-[2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(C(F)(F)F)cc1-n1nc(-c2ccc(F)cc2)cc1C.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XUPMFBFXXRVAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O/c1-11-9-17(13-3-6-15(20)7-4-13)25-26(11)18-10-14(19(21,22)23)5-8-16(18)24-12(2)27/h3-10H,1-2H3,(H,24,27).
What are the key properties of N-[2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide?
N-[2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 377.34 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 136664345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).