2-[4-(4-fluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide

C13H14FN3O — CID 71801677

IUPAC2-[4-(4-fluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C13H14FN3O/c1-16(2)13(18)9-17-8-11(7-15-17)10-3-5-12(14)6-4-10/h3-8H,9H2,1-2H3
InChIKeyUGAFMDIGTFDBIY-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.78
Rot. Bonds3

About 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-(4-fluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 71801677) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
PubChem CID71801677
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-[4-(4-fluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C13H14FN3O/c1-16(2)13(18)9-17-8-11(7-15-17)10-3-5-12(14)6-4-10/h3-8H,9H2,1-2H3
InChIKeyUGAFMDIGTFDBIY-UHFFFAOYSA-N
XLogP1.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide (CID 71801677) is 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(-c2ccc(F)cc2)cn1.
What is the InChIKey of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is UGAFMDIGTFDBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-16(2)13(18)9-17-8-11(7-15-17)10-3-5-12(14)6-4-10/h3-8H,9H2,1-2H3.
What are the key properties of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide?
2-[4-(4-fluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 247.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 71801677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).