N-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methylacetamide

C11H11FN4O — CID 162117600

IUPACN-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(-c2cncc(F)c2)c1
InChIInChI=1S/C11H11FN4O/c1-8(17)15(2)11-6-14-16(7-11)10-3-9(12)4-13-5-10/h3-7H,1-2H3
InChIKeyZGZAHLRQVZPEOV-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.39
Rot. Bonds2

About N-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methylacetamide

N-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methylacetamide (PubChem CID 162117600) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methylacetamide
PubChem CID162117600
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(-c2cncc(F)c2)c1
InChIInChI=1S/C11H11FN4O/c1-8(17)15(2)11-6-14-16(7-11)10-3-9(12)4-13-5-10/h3-7H,1-2H3
InChIKeyZGZAHLRQVZPEOV-UHFFFAOYSA-N
XLogP1.39
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methylacetamide (CID 162117600) is N-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methylacetamide is CC(=O)N(C)c1cnn(-c2cncc(F)c2)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methylacetamide?
The InChIKey is ZGZAHLRQVZPEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-8(17)15(2)11-6-14-16(7-11)10-3-9(12)4-13-5-10/h3-7H,1-2H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methylacetamide?
N-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methylacetamide has a molecular weight of 234.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 162117600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).