ethyl 2-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-2-methylpropanoate

C15H20FN5O2 — CID 133420771

IUPACethyl 2-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)n1cc(Nc2ncnc(CC)c2F)cn1
InChIInChI=1S/C15H20FN5O2/c1-5-11-12(16)13(18-9-17-11)20-10-7-19-21(8-10)15(3,4)14(22)23-6-2/h7-9H,5-6H2,1-4H3,(H,17,18,20)
InChIKeyPPCQCFPTNLXSBG-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.42
Rot. Bonds6

About ethyl 2-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-2-methylpropanoate

ethyl 2-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-2-methylpropanoate (PubChem CID 133420771) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is ethyl 2-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-2-methylpropanoate
PubChem CID133420771
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC Nameethyl 2-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)n1cc(Nc2ncnc(CC)c2F)cn1
InChIInChI=1S/C15H20FN5O2/c1-5-11-12(16)13(18-9-17-11)20-10-7-19-21(8-10)15(3,4)14(22)23-6-2/h7-9H,5-6H2,1-4H3,(H,17,18,20)
InChIKeyPPCQCFPTNLXSBG-UHFFFAOYSA-N
XLogP2.42
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-2-methylpropanoate (CID 133420771) is ethyl 2-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-2-methylpropanoate is CCOC(=O)C(C)(C)n1cc(Nc2ncnc(CC)c2F)cn1.
What is the InChIKey of ethyl 2-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-2-methylpropanoate?
The InChIKey is PPCQCFPTNLXSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-5-11-12(16)13(18-9-17-11)20-10-7-19-21(8-10)15(3,4)14(22)23-6-2/h7-9H,5-6H2,1-4H3,(H,17,18,20).
What are the key properties of ethyl 2-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-2-methylpropanoate?
ethyl 2-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-2-methylpropanoate has a molecular weight of 321.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-2-methylpropanoate is sourced from PubChem (CID 133420771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).