4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

C19H16F3N3O2 — CID 2811599

IUPAC4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2c(-c3ccccc3)c(C(F)(F)F)nn2C)cc1
InChIInChI=1S/C19H16F3N3O2/c1-25-17(23-18(26)13-8-10-14(27-2)11-9-13)15(12-6-4-3-5-7-12)16(24-25)19(20,21)22/h3-11H,1-2H3,(H,23,26)
InChIKeyFWNGFVVEIANHJK-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.37
Rot. Bonds4

About 4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 2811599) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID2811599
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2c(-c3ccccc3)c(C(F)(F)F)nn2C)cc1
InChIInChI=1S/C19H16F3N3O2/c1-25-17(23-18(26)13-8-10-14(27-2)11-9-13)15(12-6-4-3-5-7-12)16(24-25)19(20,21)22/h3-11H,1-2H3,(H,23,26)
InChIKeyFWNGFVVEIANHJK-UHFFFAOYSA-N
XLogP4.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 2811599) is 4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is COc1ccc(C(=O)Nc2c(-c3ccccc3)c(C(F)(F)F)nn2C)cc1.
What is the InChIKey of 4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is FWNGFVVEIANHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-25-17(23-18(26)13-8-10-14(27-2)11-9-13)15(12-6-4-3-5-7-12)16(24-25)19(20,21)22/h3-11H,1-2H3,(H,23,26).
What are the key properties of 4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 375.35 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 2811599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).