2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide

C13H11ClF3N3O — CID 90588569

IUPAC2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)c1ccccc1Cl
InChIInChI=1S/C13H11ClF3N3O/c14-10-4-2-1-3-9(10)12(21)18-6-8-20-7-5-11(19-20)13(15,16)17/h1-5,7H,6,8H2,(H,18,21)
InChIKeyNQUPZFBVYBBEJJ-UHFFFAOYSA-N
MW317.70 g/mol
LogP2.99
Rot. Bonds4

About 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide

2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide (PubChem CID 90588569) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
PubChem CID90588569
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)c1ccccc1Cl
InChIInChI=1S/C13H11ClF3N3O/c14-10-4-2-1-3-9(10)12(21)18-6-8-20-7-5-11(19-20)13(15,16)17/h1-5,7H,6,8H2,(H,18,21)
InChIKeyNQUPZFBVYBBEJJ-UHFFFAOYSA-N
XLogP2.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
CID 71808010
2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588583
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 166407431
5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide
CID 71808014
2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
CID 90588593
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
CID 90588535
3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588556
3,4-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588560
2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 90588530
3,4-difluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588575
3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide
CID 91939659
(E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide
CID 71808009

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide (CID 90588569) is 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide is O=C(NCCn1ccc(C(F)(F)F)n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The InChIKey is NQUPZFBVYBBEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c14-10-4-2-1-3-9(10)12(21)18-6-8-20-7-5-11(19-20)13(15,16)17/h1-5,7H,6,8H2,(H,18,21).
What are the key properties of 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide has a molecular weight of 317.70 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 90588569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).