N-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]acetamide

C13H14FN3O — CID 68643520

IUPACN-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(Cc2cccc(C)c2F)n1
InChIInChI=1S/C13H14FN3O/c1-9-4-3-5-11(13(9)14)8-17-7-6-12(16-17)15-10(2)18/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyWRPOITFPCBDKKV-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.34
Rot. Bonds3

About N-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]acetamide

N-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 68643520) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID68643520
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(Cc2cccc(C)c2F)n1
InChIInChI=1S/C13H14FN3O/c1-9-4-3-5-11(13(9)14)8-17-7-6-12(16-17)15-10(2)18/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyWRPOITFPCBDKKV-UHFFFAOYSA-N
XLogP2.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]acetamide (CID 68643520) is N-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(Cc2cccc(C)c2F)n1.
What is the InChIKey of N-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is WRPOITFPCBDKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-4-3-5-11(13(9)14)8-17-7-6-12(16-17)15-10(2)18/h3-7H,8H2,1-2H3,(H,15,16,18).
What are the key properties of N-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
N-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 247.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 68643520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).