N-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-4-yl]acetamide

C11H11ClFN5O — CID 144858877

IUPACN-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1nc(-n2nc(C)cc2C)nc(Cl)c1F
InChIInChI=1S/C11H11ClFN5O/c1-5-4-6(2)18(17-5)11-15-9(12)8(13)10(16-11)14-7(3)19/h4H,1-3H3,(H,14,15,16,19)
InChIKeyHBOKYJPQKHNJSQ-UHFFFAOYSA-N
MW283.69 g/mol
LogP2.03
Rot. Bonds2

About N-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-4-yl]acetamide

N-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-4-yl]acetamide (PubChem CID 144858877) has the molecular formula C11H11ClFN5O and a molecular weight of 283.69 g/mol. Its IUPAC name is N-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-4-yl]acetamide
PubChem CID144858877
Molecular FormulaC11H11ClFN5O
Molecular Weight283.69 g/mol
Exact Mass283.06
IUPAC NameN-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1nc(-n2nc(C)cc2C)nc(Cl)c1F
InChIInChI=1S/C11H11ClFN5O/c1-5-4-6(2)18(17-5)11-15-9(12)8(13)10(16-11)14-7(3)19/h4H,1-3H3,(H,14,15,16,19)
InChIKeyHBOKYJPQKHNJSQ-UHFFFAOYSA-N
XLogP2.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-4-yl]acetamide (CID 144858877) is N-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-4-yl]acetamide is CC(=O)Nc1nc(-n2nc(C)cc2C)nc(Cl)c1F.
What is the InChIKey of N-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-4-yl]acetamide?
The InChIKey is HBOKYJPQKHNJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN5O/c1-5-4-6(2)18(17-5)11-15-9(12)8(13)10(16-11)14-7(3)19/h4H,1-3H3,(H,14,15,16,19).
What are the key properties of N-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-4-yl]acetamide?
N-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-4-yl]acetamide has a molecular weight of 283.69 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-4-yl]acetamide is sourced from PubChem (CID 144858877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).