N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-methoxybenzamide

C18H13ClF3N3O2 — CID 21105215

IUPACN-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C18H13ClF3N3O2/c1-27-15-5-3-2-4-13(15)17(26)24-14-10-23-25(16(14)18(20,21)22)12-8-6-11(19)7-9-12/h2-10H,1H3,(H,24,26)
InChIKeyRHNWNQGHEGFTGX-UHFFFAOYSA-N
MW395.77 g/mol
LogP4.81
Rot. Bonds4

About N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-methoxybenzamide

N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-methoxybenzamide (PubChem CID 21105215) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-methoxybenzamide
PubChem CID21105215
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC NameN-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C18H13ClF3N3O2/c1-27-15-5-3-2-4-13(15)17(26)24-14-10-23-25(16(14)18(20,21)22)12-8-6-11(19)7-9-12/h2-10H,1H3,(H,24,26)
InChIKeyRHNWNQGHEGFTGX-UHFFFAOYSA-N
XLogP4.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-methoxybenzamide (CID 21105215) is N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.
What is the InChIKey of N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-methoxybenzamide?
The InChIKey is RHNWNQGHEGFTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c1-27-15-5-3-2-4-13(15)17(26)24-14-10-23-25(16(14)18(20,21)22)12-8-6-11(19)7-9-12/h2-10H,1H3,(H,24,26).
What are the key properties of N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-methoxybenzamide?
N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-methoxybenzamide has a molecular weight of 395.77 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 21105215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).