N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C17H16F3N5O — CID 19530899

IUPACN-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cccc(Cn2ccc(NC(=O)Cn3ccc(C(F)(F)F)n3)n2)c1
InChIInChI=1S/C17H16F3N5O/c1-12-3-2-4-13(9-12)10-24-8-6-15(23-24)21-16(26)11-25-7-5-14(22-25)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,23,26)
InChIKeyUKFNQVZLWGXULZ-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.09
Rot. Bonds5

About N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19530899) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19530899
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC NameN-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cccc(Cn2ccc(NC(=O)Cn3ccc(C(F)(F)F)n3)n2)c1
InChIInChI=1S/C17H16F3N5O/c1-12-3-2-4-13(9-12)10-24-8-6-15(23-24)21-16(26)11-25-7-5-14(22-25)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,23,26)
InChIKeyUKFNQVZLWGXULZ-UHFFFAOYSA-N
XLogP3.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-methylphenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 115593678
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530737
N-[3-(methoxymethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 33288169
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530901
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563692
1,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19279717
N-[3-(methylcarbamoylamino)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 36825341
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 19281654
3-(4-chloropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 19539596
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19530899) is N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cccc(Cn2ccc(NC(=O)Cn3ccc(C(F)(F)F)n3)n2)c1.
What is the InChIKey of N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is UKFNQVZLWGXULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c1-12-3-2-4-13(9-12)10-24-8-6-15(23-24)21-16(26)11-25-7-5-14(22-25)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,23,26).
What are the key properties of N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 363.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19530899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).