2-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2,2-difluoroacetic acid

C11H9ClF2N4O2 — CID 146370687

IUPAC2-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2,2-difluoroacetic acid
SMILESCc1nn(-c2cc(Cl)ncn2)c(C)c1C(F)(F)C(=O)O
InChIInChI=1S/C11H9ClF2N4O2/c1-5-9(11(13,14)10(19)20)6(2)18(17-5)8-3-7(12)15-4-16-8/h3-4H,1-2H3,(H,19,20)
InChIKeyGVSGLHHSARBNPR-UHFFFAOYSA-N
MW302.67 g/mol
LogP2.11
Rot. Bonds3

About 2-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2,2-difluoroacetic acid

2-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2,2-difluoroacetic acid (PubChem CID 146370687) has the molecular formula C11H9ClF2N4O2 and a molecular weight of 302.67 g/mol. Its IUPAC name is 2-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2,2-difluoroacetic acid
PubChem CID146370687
Molecular FormulaC11H9ClF2N4O2
Molecular Weight302.67 g/mol
Exact Mass302.04
IUPAC Name2-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2,2-difluoroacetic acid
SMILESCc1nn(-c2cc(Cl)ncn2)c(C)c1C(F)(F)C(=O)O
InChIInChI=1S/C11H9ClF2N4O2/c1-5-9(11(13,14)10(19)20)6(2)18(17-5)8-3-7(12)15-4-16-8/h3-4H,1-2H3,(H,19,20)
InChIKeyGVSGLHHSARBNPR-UHFFFAOYSA-N
XLogP2.11
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.67
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2,2-difluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2,2-difluoroacetic acid?
The IUPAC name of 2-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2,2-difluoroacetic acid (CID 146370687) is 2-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2,2-difluoroacetic acid.
What is the SMILES notation for 2-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2,2-difluoroacetic acid?
The canonical SMILES for 2-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2,2-difluoroacetic acid is Cc1nn(-c2cc(Cl)ncn2)c(C)c1C(F)(F)C(=O)O.
What is the InChIKey of 2-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2,2-difluoroacetic acid?
The InChIKey is GVSGLHHSARBNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N4O2/c1-5-9(11(13,14)10(19)20)6(2)18(17-5)8-3-7(12)15-4-16-8/h3-4H,1-2H3,(H,19,20).
What are the key properties of 2-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2,2-difluoroacetic acid?
2-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2,2-difluoroacetic acid has a molecular weight of 302.67 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2,2-difluoroacetic acid is sourced from PubChem (CID 146370687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).