4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide

C18H14F3N3O2 — CID 26725440

IUPAC4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1
InChIInChI=1S/C18H14F3N3O2/c1-26-14-6-3-12(4-7-14)17(25)23-15-11-13(18(19,20)21)5-8-16(15)24-10-2-9-22-24/h2-11H,1H3,(H,23,25)
InChIKeyKZNKCKQZHHHUPT-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.15
Rot. Bonds4

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

4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 26725440) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID26725440
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1
InChIInChI=1S/C18H14F3N3O2/c1-26-14-6-3-12(4-7-14)17(25)23-15-11-13(18(19,20)21)5-8-16(15)24-10-2-9-22-24/h2-11H,1H3,(H,23,25)
InChIKeyKZNKCKQZHHHUPT-UHFFFAOYSA-N
XLogP4.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
2-(4-methoxyphenoxy)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 26725520
3,4-difluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725502
4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725553
2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 78817314
3-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 38079555
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26725545
5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 46616651
4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 55759697
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 2224741
methyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 26489724

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide (CID 26725440) is 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide is COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1.
What is the InChIKey of 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is KZNKCKQZHHHUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-26-14-6-3-12(4-7-14)17(25)23-15-11-13(18(19,20)21)5-8-16(15)24-10-2-9-22-24/h2-11H,1H3,(H,23,25).
What are the key properties of 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 361.32 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 26725440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).