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

C20H15F3N4O — CID 136664357

IUPACN-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1-n1nc(-c2ccc(C#N)cc2)cc1C
InChIInChI=1S/C20H15F3N4O/c1-12-9-18(15-5-3-14(11-24)4-6-15)26-27(12)19-10-16(20(21,22)23)7-8-17(19)25-13(2)28/h3-10H,1-2H3,(H,25,28)
InChIKeyOCNGKGSRZKFWPR-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.70
Rot. Bonds3

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

N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 136664357) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide
PubChem CID136664357
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC NameN-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1-n1nc(-c2ccc(C#N)cc2)cc1C
InChIInChI=1S/C20H15F3N4O/c1-12-9-18(15-5-3-14(11-24)4-6-15)26-27(12)19-10-16(20(21,22)23)7-8-17(19)25-13(2)28/h3-10H,1-2H3,(H,25,28)
InChIKeyOCNGKGSRZKFWPR-UHFFFAOYSA-N
XLogP4.70
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(4-Cyanophenyl)-1H-pyrazol-5-yl]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazine-2-carboxamide
CID 68752099
6-(1-(4-cyanophenyl)-1H-pyrazol-5-yl)-N-ethyl-5-methyl-3-oxo-4-(3-(trifluoromethyl)phenyl)-3,4-dihydropyrazine-2-carboxamide
CID 24890141
N-[4-(cyanomethyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 714821
4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
CID 21090961
2-(3-(4-cyanophenyl)-5-methyl-1h-pyrazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 136664316
2-(3-(4-cyanophenyl)-5-methyl-1h-pyrazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 136664317
N-(3-cyanophenyl)-2-(3-(4-fluorophenyl)-5-methyl-1h-pyrazol-1-yl)acetamide
CID 136664318
2-(3-(4-fluorophenyl)-5-methyl-1h-pyrazol-1-yl)-N-(4-(trifluoromethyl)phenyl) acetamide
CID 136664345
2-(3-(4-fluorophenyl)-5-methyl-1h-pyrazol-1-yl)-N-(3-(trifluoromethyl)phenyl) acetamide
CID 136664346
2-(3-(4-cyanophenyl)-5-methyl-1h-pyrazol-1-yl)-N-(3-(trifluoromethyl)phenyl) acetamide
CID 136664358
N-(3-cyanophenyl)-2-(3-(4-cyanophenyl)-5-methyl-1h-pyrazol-1-yl)acetamide
CID 136664337
N-(4-cyanophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 807822

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide (CID 136664357) is N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(C(F)(F)F)cc1-n1nc(-c2ccc(C#N)cc2)cc1C.
What is the InChIKey of N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OCNGKGSRZKFWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-12-9-18(15-5-3-14(11-24)4-6-15)26-27(12)19-10-16(20(21,22)23)7-8-17(19)25-13(2)28/h3-10H,1-2H3,(H,25,28).
What are the key properties of N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide?
N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 384.36 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 136664357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).