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

C20H15F3N4O — CID 136664358

IUPACN-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(F)(F)F)c1-n1nc(-c2ccc(C#N)cc2)cc1C
InChIInChI=1S/C20H15F3N4O/c1-12-10-18(15-8-6-14(11-24)7-9-15)26-27(12)19-16(20(21,22)23)4-3-5-17(19)25-13(2)28/h3-10H,1-2H3,(H,25,28)
InChIKeyOMGVUSQEBPFTNP-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.70
Rot. Bonds3

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

N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 136664358) 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]-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-3-(trifluoromethyl)phenyl]acetamide
PubChem CID136664358
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC NameN-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(F)(F)F)c1-n1nc(-c2ccc(C#N)cc2)cc1C
InChIInChI=1S/C20H15F3N4O/c1-12-10-18(15-8-6-14(11-24)7-9-15)26-27(12)19-16(20(21,22)23)4-3-5-17(19)25-13(2)28/h3-10H,1-2H3,(H,25,28)
InChIKeyOMGVUSQEBPFTNP-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

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-(4-(trifluoromethyl)phenyl) acetamide
CID 136664357
N-(2-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 8899946
N-(3-cyanophenyl)-2-(3-(4-cyanophenyl)-5-methyl-1h-pyrazol-1-yl)acetamide
CID 136664337
N-[4-[3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]phenyl]acetamide
CID 10591772
[4-[3-Methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]urea
CID 57334922
[4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
CID 57335076
[4-[5-(4-Cyanophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
CID 57335234

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-3-(trifluoromethyl)phenyl]acetamide (CID 136664358) is N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-3-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cccc(C(F)(F)F)c1-n1nc(-c2ccc(C#N)cc2)cc1C.
What is the InChIKey of N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OMGVUSQEBPFTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-12-10-18(15-8-6-14(11-24)7-9-15)26-27(12)19-16(20(21,22)23)4-3-5-17(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]-3-(trifluoromethyl)phenyl]acetamide?
N-[2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-3-(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]-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 136664358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).