N-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide

C19H15ClF3N3O2 — CID 46188577

IUPACN-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2Cl)ccc1-n1nc(C)cc1C(F)(F)F
InChIInChI=1S/C19H15ClF3N3O2/c1-11-9-17(19(21,22)23)26(25-11)15-8-7-12(10-16(15)28-2)18(27)24-14-6-4-3-5-13(14)20/h3-10H,1-2H3,(H,24,27)
InChIKeyAVFOHTPZBDHDDD-UHFFFAOYSA-N
MW409.80 g/mol
LogP5.11
Rot. Bonds4

About N-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide

N-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 46188577) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID46188577
Molecular FormulaC19H15ClF3N3O2
Molecular Weight409.80 g/mol
Exact Mass409.08
IUPAC NameN-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2Cl)ccc1-n1nc(C)cc1C(F)(F)F
InChIInChI=1S/C19H15ClF3N3O2/c1-11-9-17(19(21,22)23)26(25-11)15-8-7-12(10-16(15)28-2)18(27)24-14-6-4-3-5-13(14)20/h3-10H,1-2H3,(H,24,27)
InChIKeyAVFOHTPZBDHDDD-UHFFFAOYSA-N
XLogP5.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.80
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 46188577) is N-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide is COc1cc(C(=O)Nc2ccccc2Cl)ccc1-n1nc(C)cc1C(F)(F)F.
What is the InChIKey of N-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is AVFOHTPZBDHDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c1-11-9-17(19(21,22)23)26(25-11)15-8-7-12(10-16(15)28-2)18(27)24-14-6-4-3-5-13(14)20/h3-10H,1-2H3,(H,24,27).
What are the key properties of N-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 409.80 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 46188577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).