2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide

C18H13F4N3O — CID 175826085

IUPAC2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(-c2ccccc2C(N)=O)cc1F
InChIInChI=1S/C18H13F4N3O/c1-25-15(9-16(24-25)18(20,21)22)13-7-6-10(8-14(13)19)11-4-2-3-5-12(11)17(23)26/h2-9H,1H3,(H2,23,26)
InChIKeyVHOAMIHESQETPR-UHFFFAOYSA-N
MW363.31 g/mol
LogP4.01
Rot. Bonds3

About 2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide

2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide (PubChem CID 175826085) has the molecular formula C18H13F4N3O and a molecular weight of 363.31 g/mol. Its IUPAC name is 2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
PubChem CID175826085
Molecular FormulaC18H13F4N3O
Molecular Weight363.31 g/mol
Exact Mass363.10
IUPAC Name2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(-c2ccccc2C(N)=O)cc1F
InChIInChI=1S/C18H13F4N3O/c1-25-15(9-16(24-25)18(20,21)22)13-7-6-10(8-14(13)19)11-4-2-3-5-12(11)17(23)26/h2-9H,1H3,(H2,23,26)
InChIKeyVHOAMIHESQETPR-UHFFFAOYSA-N
XLogP4.01
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
2,4-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
CID 90393863
4-(2-carbamoylphenyl)-2-fluorobenzoic acid
CID 150992694
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 90395928
4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide
CID 66778943
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 58486832
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 90393664
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide
CID 58487164
2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide
CID 56847745
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 90393640
5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 155293864
6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine
CID 71105505

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide?
The IUPAC name of 2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide (CID 175826085) is 2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide is Cn1nc(C(F)(F)F)cc1-c1ccc(-c2ccccc2C(N)=O)cc1F.
What is the InChIKey of 2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide?
The InChIKey is VHOAMIHESQETPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O/c1-25-15(9-16(24-25)18(20,21)22)13-7-6-10(8-14(13)19)11-4-2-3-5-12(11)17(23)26/h2-9H,1H3,(H2,23,26).
What are the key properties of 2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide?
2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide has a molecular weight of 363.31 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 175826085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).