UCWAXCBFGDZWTN-UHFFFAOYSA-N

C11H10ClFN4O2 — CID 86659253

IUPACethyl 1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2nc(Cl)ncc2F)nc1C
InChIInChI=1S/C11H10ClFN4O2/c1-3-19-10(18)7-5-17(16-6(7)2)9-8(13)4-14-11(12)15-9/h4-5H,3H2,1-2H3
InChIKeyUCWAXCBFGDZWTN-UHFFFAOYSA-N
MW284.68 g/mol
LogP1.94
Rot. Bonds3

About UCWAXCBFGDZWTN-UHFFFAOYSA-N

UCWAXCBFGDZWTN-UHFFFAOYSA-N (PubChem CID 86659253) has the molecular formula C11H10ClFN4O2 and a molecular weight of 284.68 g/mol. Its IUPAC name is ethyl 1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazole-4-carboxylate.

Molecular Properties

Compound NameUCWAXCBFGDZWTN-UHFFFAOYSA-N
PubChem CID86659253
Molecular FormulaC11H10ClFN4O2
Molecular Weight284.68 g/mol
Exact Mass284.05
IUPAC Nameethyl 1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2nc(Cl)ncc2F)nc1C
InChIInChI=1S/C11H10ClFN4O2/c1-3-19-10(18)7-5-17(16-6(7)2)9-8(13)4-14-11(12)15-9/h4-5H,3H2,1-2H3
InChIKeyUCWAXCBFGDZWTN-UHFFFAOYSA-N
XLogP1.94
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.68
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of UCWAXCBFGDZWTN-UHFFFAOYSA-N?
The IUPAC name of UCWAXCBFGDZWTN-UHFFFAOYSA-N (CID 86659253) is ethyl 1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazole-4-carboxylate.
What is the SMILES notation for UCWAXCBFGDZWTN-UHFFFAOYSA-N?
The canonical SMILES for UCWAXCBFGDZWTN-UHFFFAOYSA-N is CCOC(=O)c1cn(-c2nc(Cl)ncc2F)nc1C.
What is the InChIKey of UCWAXCBFGDZWTN-UHFFFAOYSA-N?
The InChIKey is UCWAXCBFGDZWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O2/c1-3-19-10(18)7-5-17(16-6(7)2)9-8(13)4-14-11(12)15-9/h4-5H,3H2,1-2H3.
What are the key properties of UCWAXCBFGDZWTN-UHFFFAOYSA-N?
UCWAXCBFGDZWTN-UHFFFAOYSA-N has a molecular weight of 284.68 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for UCWAXCBFGDZWTN-UHFFFAOYSA-N is sourced from PubChem (CID 86659253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).