3-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]propanamide

C13H14FN3O2 — CID 72914333

IUPAC3-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]propanamide
SMILESCOc1cccc(-c2cnn(CCC(N)=O)c2)c1F
InChIInChI=1S/C13H14FN3O2/c1-19-11-4-2-3-10(13(11)14)9-7-16-17(8-9)6-5-12(15)18/h2-4,7-8H,5-6H2,1H3,(H2,15,18)
InChIKeyXQKZUDQCEXPQPH-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.57
Rot. Bonds5

About 3-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]propanamide

3-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]propanamide (PubChem CID 72914333) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 3-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]propanamide
PubChem CID72914333
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name3-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]propanamide
SMILESCOc1cccc(-c2cnn(CCC(N)=O)c2)c1F
InChIInChI=1S/C13H14FN3O2/c1-19-11-4-2-3-10(13(11)14)9-7-16-17(8-9)6-5-12(15)18/h2-4,7-8H,5-6H2,1H3,(H2,15,18)
InChIKeyXQKZUDQCEXPQPH-UHFFFAOYSA-N
XLogP1.57
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]propanamide?
The IUPAC name of 3-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]propanamide (CID 72914333) is 3-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]propanamide is COc1cccc(-c2cnn(CCC(N)=O)c2)c1F.
What is the InChIKey of 3-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]propanamide?
The InChIKey is XQKZUDQCEXPQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-19-11-4-2-3-10(13(11)14)9-7-16-17(8-9)6-5-12(15)18/h2-4,7-8H,5-6H2,1H3,(H2,15,18).
What are the key properties of 3-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]propanamide?
3-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]propanamide has a molecular weight of 263.27 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 72914333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).