N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide

C24H18F4N4O — CID 18674035

IUPACN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C24H18F4N4O/c1-32-23(30-20(33)14-17-4-2-3-5-19(17)24(26,27)28)21(15-10-12-29-13-11-15)22(31-32)16-6-8-18(25)9-7-16/h2-13H,14H2,1H3,(H,30,33)
InChIKeyAWLIAYYCTMJZID-UHFFFAOYSA-N
MW454.43 g/mol
LogP5.49
Rot. Bonds5

About N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide

N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 18674035) has the molecular formula C24H18F4N4O and a molecular weight of 454.43 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID18674035
Molecular FormulaC24H18F4N4O
Molecular Weight454.43 g/mol
Exact Mass454.14
IUPAC NameN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C24H18F4N4O/c1-32-23(30-20(33)14-17-4-2-3-5-19(17)24(26,27)28)21(15-10-12-29-13-11-15)22(31-32)16-6-8-18(25)9-7-16/h2-13H,14H2,1H3,(H,30,33)
InChIKeyAWLIAYYCTMJZID-UHFFFAOYSA-N
XLogP5.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.43
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide (CID 18674035) is N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide is Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AWLIAYYCTMJZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N4O/c1-32-23(30-20(33)14-17-4-2-3-5-19(17)24(26,27)28)21(15-10-12-29-13-11-15)22(31-32)16-6-8-18(25)9-7-16/h2-13H,14H2,1H3,(H,30,33).
What are the key properties of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 454.43 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18674035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).