N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-fluorobenzamide

C14H14FN3O2 — CID 3144478

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-fluorobenzamide
SMILESCc1cc(C)n(C(=O)CNC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C14H14FN3O2/c1-9-6-10(2)18(17-9)13(19)8-16-14(20)11-4-3-5-12(15)7-11/h3-7H,8H2,1-2H3,(H,16,20)
InChIKeyFPLQWCOHOHGGHP-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.71
Rot. Bonds3

About N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-fluorobenzamide

N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-fluorobenzamide (PubChem CID 3144478) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-fluorobenzamide
PubChem CID3144478
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-fluorobenzamide
SMILESCc1cc(C)n(C(=O)CNC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C14H14FN3O2/c1-9-6-10(2)18(17-9)13(19)8-16-14(20)11-4-3-5-12(15)7-11/h3-7H,8H2,1-2H3,(H,16,20)
InChIKeyFPLQWCOHOHGGHP-UHFFFAOYSA-N
XLogP1.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-fluorobenzamide (CID 3144478) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-fluorobenzamide is Cc1cc(C)n(C(=O)CNC(=O)c2cccc(F)c2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is FPLQWCOHOHGGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-9-6-10(2)18(17-9)13(19)8-16-14(20)11-4-3-5-12(15)7-11/h3-7H,8H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-fluorobenzamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 275.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 3144478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).