UCWAXCBFGDZWTN-UHFFFAOYSA-N

Name: UCWAXCBFGDZWTN-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₀ClFN₄O₂ — CID 86659253

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	UCWAXCBFGDZWTN-UHFFFAOYSA-N
PubChem CID	86659253
Molecular Formula	C₁₁H₁₀ClFN₄O₂
Molecular Weight	284.68 g/mol
Exact Mass	284.05
IUPAC Name	ethyl 1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazole-4-carboxylate
SMILES	CCOC(=O)c1cn(-c2nc(Cl)ncc2F)nc1C
InChI	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
InChIKey	UCWAXCBFGDZWTN-UHFFFAOYSA-N
XLogP	1.94
TPSA	69.90 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.68
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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).

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Sources

PubChem CID 86659253 — identifiers, structure, computed properties (public domain)

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