2-(3-ethoxy-4-iodo-5-methylpyrazol-1-yl)-5-ethylpyrimidine

C12H15IN4O — CID 118430602

IUPAC2-(3-ethoxy-4-iodo-5-methylpyrazol-1-yl)-5-ethylpyrimidine
SMILESCCOc1nn(-c2ncc(CC)cn2)c(C)c1I
InChIInChI=1S/C12H15IN4O/c1-4-9-6-14-12(15-7-9)17-8(3)10(13)11(16-17)18-5-2/h6-7H,4-5H2,1-3H3
InChIKeyZBERAHDIQQGOKX-UHFFFAOYSA-N
MW358.18 g/mol
LogP2.54
Rot. Bonds4

About 2-(3-ethoxy-4-iodo-5-methylpyrazol-1-yl)-5-ethylpyrimidine

2-(3-ethoxy-4-iodo-5-methylpyrazol-1-yl)-5-ethylpyrimidine (PubChem CID 118430602) has the molecular formula C12H15IN4O and a molecular weight of 358.18 g/mol. Its IUPAC name is 2-(3-ethoxy-4-iodo-5-methylpyrazol-1-yl)-5-ethylpyrimidine.

Molecular Properties

Compound Name2-(3-ethoxy-4-iodo-5-methylpyrazol-1-yl)-5-ethylpyrimidine
PubChem CID118430602
Molecular FormulaC12H15IN4O
Molecular Weight358.18 g/mol
Exact Mass358.03
IUPAC Name2-(3-ethoxy-4-iodo-5-methylpyrazol-1-yl)-5-ethylpyrimidine
SMILESCCOc1nn(-c2ncc(CC)cn2)c(C)c1I
InChIInChI=1S/C12H15IN4O/c1-4-9-6-14-12(15-7-9)17-8(3)10(13)11(16-17)18-5-2/h6-7H,4-5H2,1-3H3
InChIKeyZBERAHDIQQGOKX-UHFFFAOYSA-N
XLogP2.54
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-iodo-5-methylpyrazol-1-yl)-5-ethylpyrimidine?
The IUPAC name of 2-(3-ethoxy-4-iodo-5-methylpyrazol-1-yl)-5-ethylpyrimidine (CID 118430602) is 2-(3-ethoxy-4-iodo-5-methylpyrazol-1-yl)-5-ethylpyrimidine.
What is the SMILES notation for 2-(3-ethoxy-4-iodo-5-methylpyrazol-1-yl)-5-ethylpyrimidine?
The canonical SMILES for 2-(3-ethoxy-4-iodo-5-methylpyrazol-1-yl)-5-ethylpyrimidine is CCOc1nn(-c2ncc(CC)cn2)c(C)c1I.
What is the InChIKey of 2-(3-ethoxy-4-iodo-5-methylpyrazol-1-yl)-5-ethylpyrimidine?
The InChIKey is ZBERAHDIQQGOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN4O/c1-4-9-6-14-12(15-7-9)17-8(3)10(13)11(16-17)18-5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-(3-ethoxy-4-iodo-5-methylpyrazol-1-yl)-5-ethylpyrimidine?
2-(3-ethoxy-4-iodo-5-methylpyrazol-1-yl)-5-ethylpyrimidine has a molecular weight of 358.18 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-iodo-5-methylpyrazol-1-yl)-5-ethylpyrimidine is sourced from PubChem (CID 118430602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).