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

C11H10FN3O — CID 1081357

IUPACN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C11H10FN3O/c1-7(16)13-11-6-10(14-15-11)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyXGGDMZIPQYYEJJ-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.17
Rot. Bonds2

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

N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 1081357) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide
PubChem CID1081357
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C11H10FN3O/c1-7(16)13-11-6-10(14-15-11)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyXGGDMZIPQYYEJJ-UHFFFAOYSA-N
XLogP2.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide (CID 1081357) is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide is CC(=O)Nc1cc(-c2ccc(F)cc2)[nH]n1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is XGGDMZIPQYYEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-7(16)13-11-6-10(14-15-11)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide?
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 219.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 1081357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).