N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C17H20F3N3O — CID 99829147

IUPACN-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(C(F)(F)F)ccc1CNC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C17H20F3N3O/c1-10-7-14(17(18,19)20)6-5-13(10)9-21-16(24)8-15-11(2)22-23(4)12(15)3/h5-7H,8-9H2,1-4H3,(H,21,24)
InChIKeyVNAJFVNNXQGPCL-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.22
Rot. Bonds4

About N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 99829147) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID99829147
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC NameN-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(C(F)(F)F)ccc1CNC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C17H20F3N3O/c1-10-7-14(17(18,19)20)6-5-13(10)9-21-16(24)8-15-11(2)22-23(4)12(15)3/h5-7H,8-9H2,1-4H3,(H,21,24)
InChIKeyVNAJFVNNXQGPCL-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47073756
2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid
CID 119226411
2-cyano-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]acetamide
CID 99830862
N-(2,2,2-trifluoroethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 81340103
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51099822
N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70704652
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55702716
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86836141
(2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 99829225
2-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119240253
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129721

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 99829147) is N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1cc(C(F)(F)F)ccc1CNC(=O)Cc1c(C)nn(C)c1C.
What is the InChIKey of N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is VNAJFVNNXQGPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-10-7-14(17(18,19)20)6-5-13(10)9-21-16(24)8-15-11(2)22-23(4)12(15)3/h5-7H,8-9H2,1-4H3,(H,21,24).
What are the key properties of N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 339.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 99829147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).