2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidine

C11H12ClFN4 — CID 79075263

IUPAC2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidine
SMILESCCc1c(C)nn(-c2nc(Cl)ncc2F)c1C
InChIInChI=1S/C11H12ClFN4/c1-4-8-6(2)16-17(7(8)3)10-9(13)5-14-11(12)15-10/h5H,4H2,1-3H3
InChIKeyQLVSPFGTHDGWIR-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.63
Rot. Bonds2

About 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidine

2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidine (PubChem CID 79075263) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidine
PubChem CID79075263
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidine
SMILESCCc1c(C)nn(-c2nc(Cl)ncc2F)c1C
InChIInChI=1S/C11H12ClFN4/c1-4-8-6(2)16-17(7(8)3)10-9(13)5-14-11(12)15-10/h5H,4H2,1-3H3
InChIKeyQLVSPFGTHDGWIR-UHFFFAOYSA-N
XLogP2.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidine (CID 79075263) is 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidine is CCc1c(C)nn(-c2nc(Cl)ncc2F)c1C.
What is the InChIKey of 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidine?
The InChIKey is QLVSPFGTHDGWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c1-4-8-6(2)16-17(7(8)3)10-9(13)5-14-11(12)15-10/h5H,4H2,1-3H3.
What are the key properties of 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidine?
2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidine has a molecular weight of 254.70 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidine is sourced from PubChem (CID 79075263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).