2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide

C15H18FN3O — CID 110716746

IUPAC2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
SMILESCc1nn(CCNC(=O)c2ccccc2F)c(C)c1C
InChIInChI=1S/C15H18FN3O/c1-10-11(2)18-19(12(10)3)9-8-17-15(20)13-6-4-5-7-14(13)16/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyJUXXQLFERTZRJY-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.38
Rot. Bonds4

About 2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide

2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide (PubChem CID 110716746) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
PubChem CID110716746
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
SMILESCc1nn(CCNC(=O)c2ccccc2F)c(C)c1C
InChIInChI=1S/C15H18FN3O/c1-10-11(2)18-19(12(10)3)9-8-17-15(20)13-6-4-5-7-14(13)16/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyJUXXQLFERTZRJY-UHFFFAOYSA-N
XLogP2.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716759
N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide
CID 122161592
N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide
CID 77084306
2-fluoro-N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]benzamide
CID 121078450
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 110716769
2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716730
2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121043
3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716798
2-bromo-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]benzamide
CID 19281951
2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121078971
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110852445

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide (CID 110716746) is 2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide is Cc1nn(CCNC(=O)c2ccccc2F)c(C)c1C.
What is the InChIKey of 2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is JUXXQLFERTZRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10-11(2)18-19(12(10)3)9-8-17-15(20)13-6-4-5-7-14(13)16/h4-7H,8-9H2,1-3H3,(H,17,20).
What are the key properties of 2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide?
2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 275.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 110716746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).