3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

C21H20F3N3O2 — CID 9399075

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O2/c1-14-19(15(2)27(26-14)17-6-4-3-5-7-17)12-13-20(28)25-16-8-10-18(11-9-16)29-21(22,23)24/h3-11H,12-13H2,1-2H3,(H,25,28)
InChIKeyFJCPFUYQCBCXGZ-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.96
Rot. Bonds6

About 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 9399075) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID9399075
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O2/c1-14-19(15(2)27(26-14)17-6-4-3-5-7-17)12-13-20(28)25-16-8-10-18(11-9-16)29-21(22,23)24/h3-11H,12-13H2,1-2H3,(H,25,28)
InChIKeyFJCPFUYQCBCXGZ-UHFFFAOYSA-N
XLogP4.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 135885896
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 46339989
methyl 4-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]benzoate
CID 9068843
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide
CID 9403845
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 9329096
N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9141969
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide
CID 9428459
N-(3,4-dimethylphenyl)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 9039927
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 9398948
N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042530
N-(3-chloro-2-methylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9403949

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 9399075) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide is Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is FJCPFUYQCBCXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-14-19(15(2)27(26-14)17-6-4-3-5-7-17)12-13-20(28)25-16-8-10-18(11-9-16)29-21(22,23)24/h3-11H,12-13H2,1-2H3,(H,25,28).
What are the key properties of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 403.40 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 9399075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).