N-[1-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetamide

C13H14FN3O2 — CID 138056768

IUPACN-[1-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetamide
SMILESCC(=O)NC1C(=O)N(Cc2cccc(F)c2)N=C1C
InChIInChI=1S/C13H14FN3O2/c1-8-12(15-9(2)18)13(19)17(16-8)7-10-4-3-5-11(14)6-10/h3-6,12H,7H2,1-2H3,(H,15,18)
InChIKeyXVUKIHFOZSPPKD-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.05
Rot. Bonds3

About N-[1-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetamide

N-[1-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetamide (PubChem CID 138056768) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetamide
PubChem CID138056768
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetamide
SMILESCC(=O)NC1C(=O)N(Cc2cccc(F)c2)N=C1C
InChIInChI=1S/C13H14FN3O2/c1-8-12(15-9(2)18)13(19)17(16-8)7-10-4-3-5-11(14)6-10/h3-6,12H,7H2,1-2H3,(H,15,18)
InChIKeyXVUKIHFOZSPPKD-UHFFFAOYSA-N
XLogP1.05
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetamide (CID 138056768) is N-[1-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetamide is CC(=O)NC1C(=O)N(Cc2cccc(F)c2)N=C1C.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetamide?
The InChIKey is XVUKIHFOZSPPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-8-12(15-9(2)18)13(19)17(16-8)7-10-4-3-5-11(14)6-10/h3-6,12H,7H2,1-2H3,(H,15,18).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetamide?
N-[1-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetamide has a molecular weight of 263.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 138056768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).