N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3,4,5-trifluorophenyl)acetamide

C15H16F3N3O — CID 134712047

IUPACN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3,4,5-trifluorophenyl)acetamide
SMILESCCc1c(C)nn(C)c1NC(=O)Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H16F3N3O/c1-4-10-8(2)20-21(3)15(10)19-13(22)7-9-5-11(16)14(18)12(17)6-9/h5-6H,4,7H2,1-3H3,(H,19,22)
InChIKeyURIPPIUBMZAQTF-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.89
Rot. Bonds4

About N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3,4,5-trifluorophenyl)acetamide

N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3,4,5-trifluorophenyl)acetamide (PubChem CID 134712047) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3,4,5-trifluorophenyl)acetamide
PubChem CID134712047
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC NameN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3,4,5-trifluorophenyl)acetamide
SMILESCCc1c(C)nn(C)c1NC(=O)Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H16F3N3O/c1-4-10-8(2)20-21(3)15(10)19-13(22)7-9-5-11(16)14(18)12(17)6-9/h5-6H,4,7H2,1-3H3,(H,19,22)
InChIKeyURIPPIUBMZAQTF-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 134700057
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-fluorophenyl)butanamide
CID 134702201
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide
CID 134701340
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
CID 146086741
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-piperidin-1-ylpropanamide
CID 134704973
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-methoxyquinoline-4-carboxamide
CID 134709541
methyl 2-[3,5-dimethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]acetate
CID 79204308
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide
CID 134702896
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 72938073
4-chloro-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-1H-indole-2-carboxamide
CID 134702485
N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 75501229
2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide
CID 155909781

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3,4,5-trifluorophenyl)acetamide?
The IUPAC name of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3,4,5-trifluorophenyl)acetamide (CID 134712047) is N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3,4,5-trifluorophenyl)acetamide?
The canonical SMILES for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3,4,5-trifluorophenyl)acetamide is CCc1c(C)nn(C)c1NC(=O)Cc1cc(F)c(F)c(F)c1.
What is the InChIKey of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3,4,5-trifluorophenyl)acetamide?
The InChIKey is URIPPIUBMZAQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-4-10-8(2)20-21(3)15(10)19-13(22)7-9-5-11(16)14(18)12(17)6-9/h5-6H,4,7H2,1-3H3,(H,19,22).
What are the key properties of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3,4,5-trifluorophenyl)acetamide?
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3,4,5-trifluorophenyl)acetamide has a molecular weight of 311.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 134712047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).