2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide

C19H17F2N3O — CID 146128415

IUPAC2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c(F)c1
InChIInChI=1S/C19H17F2N3O/c1-13-2-7-17(18(21)12-13)19(25)22-10-8-15-9-11-24(23-15)16-5-3-14(20)4-6-16/h2-7,9,11-12H,8,10H2,1H3,(H,22,25)
InChIKeyYJAXLOIAOVWTKJ-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.43
Rot. Bonds5

About 2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide

2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide (PubChem CID 146128415) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide
PubChem CID146128415
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c(F)c1
InChIInChI=1S/C19H17F2N3O/c1-13-2-7-17(18(21)12-13)19(25)22-10-8-15-9-11-24(23-15)16-5-3-14(20)4-6-16/h2-7,9,11-12H,8,10H2,1H3,(H,22,25)
InChIKeyYJAXLOIAOVWTKJ-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146126708
(2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide
CID 119336468
3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide
CID 146123423
3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122234
2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 167789997
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide
CID 119336460
1-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111513261
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 146132786
2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride
CID 119806251
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119806208
2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide
CID 99637033
2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 104627197

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide?
The IUPAC name of 2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide (CID 146128415) is 2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c(F)c1.
What is the InChIKey of 2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide?
The InChIKey is YJAXLOIAOVWTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-13-2-7-17(18(21)12-13)19(25)22-10-8-15-9-11-24(23-15)16-5-3-14(20)4-6-16/h2-7,9,11-12H,8,10H2,1H3,(H,22,25).
What are the key properties of 2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide?
2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide has a molecular weight of 341.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide is sourced from PubChem (CID 146128415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).