3-methoxy-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide

C20H18F3N3O2 — CID 19346905

IUPAC3-methoxy-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1C
InChIInChI=1S/C20H18F3N3O2/c1-13-17(7-4-8-18(13)28-2)19(27)25-16-10-24-26(12-16)11-14-5-3-6-15(9-14)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,25,27)
InChIKeySFLSFRBAHBKRAB-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.52
Rot. Bonds5

About 3-methoxy-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide

3-methoxy-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide (PubChem CID 19346905) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
PubChem CID19346905
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name3-methoxy-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1C
InChIInChI=1S/C20H18F3N3O2/c1-13-17(7-4-8-18(13)28-2)19(27)25-16-10-24-26(12-16)11-14-5-3-6-15(9-14)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,25,27)
InChIKeySFLSFRBAHBKRAB-UHFFFAOYSA-N
XLogP4.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-methoxy-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide (CID 19346905) is 3-methoxy-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-methoxy-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide is COc1cccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1C.
What is the InChIKey of 3-methoxy-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide?
The InChIKey is SFLSFRBAHBKRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-13-17(7-4-8-18(13)28-2)19(27)25-16-10-24-26(12-16)11-14-5-3-6-15(9-14)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,25,27).
What are the key properties of 3-methoxy-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide?
3-methoxy-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide has a molecular weight of 389.38 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19346905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).