4-ethyl-6-(3-pyrazol-1-ylprop-1-ynyl)pyrimidine

C12H12N4 — CID 122242182

IUPAC4-ethyl-6-(3-pyrazol-1-ylprop-1-ynyl)pyrimidine
SMILESCCc1cc(C#CCn2cccn2)ncn1
InChIInChI=1S/C12H12N4/c1-2-11-9-12(14-10-13-11)5-3-7-16-8-4-6-15-16/h4,6,8-10H,2,7H2,1H3
InChIKeyWPOXGUUNKYUYIQ-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.29
Rot. Bonds2

About 4-ethyl-6-(3-pyrazol-1-ylprop-1-ynyl)pyrimidine

4-ethyl-6-(3-pyrazol-1-ylprop-1-ynyl)pyrimidine (PubChem CID 122242182) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4-ethyl-6-(3-pyrazol-1-ylprop-1-ynyl)pyrimidine.

Molecular Properties

Compound Name4-ethyl-6-(3-pyrazol-1-ylprop-1-ynyl)pyrimidine
PubChem CID122242182
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name4-ethyl-6-(3-pyrazol-1-ylprop-1-ynyl)pyrimidine
SMILESCCc1cc(C#CCn2cccn2)ncn1
InChIInChI=1S/C12H12N4/c1-2-11-9-12(14-10-13-11)5-3-7-16-8-4-6-15-16/h4,6,8-10H,2,7H2,1H3
InChIKeyWPOXGUUNKYUYIQ-UHFFFAOYSA-N
XLogP1.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(3-pyrazol-1-ylprop-1-ynyl)pyrimidine?
The IUPAC name of 4-ethyl-6-(3-pyrazol-1-ylprop-1-ynyl)pyrimidine (CID 122242182) is 4-ethyl-6-(3-pyrazol-1-ylprop-1-ynyl)pyrimidine.
What is the SMILES notation for 4-ethyl-6-(3-pyrazol-1-ylprop-1-ynyl)pyrimidine?
The canonical SMILES for 4-ethyl-6-(3-pyrazol-1-ylprop-1-ynyl)pyrimidine is CCc1cc(C#CCn2cccn2)ncn1.
What is the InChIKey of 4-ethyl-6-(3-pyrazol-1-ylprop-1-ynyl)pyrimidine?
The InChIKey is WPOXGUUNKYUYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-11-9-12(14-10-13-11)5-3-7-16-8-4-6-15-16/h4,6,8-10H,2,7H2,1H3.
What are the key properties of 4-ethyl-6-(3-pyrazol-1-ylprop-1-ynyl)pyrimidine?
4-ethyl-6-(3-pyrazol-1-ylprop-1-ynyl)pyrimidine has a molecular weight of 212.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(3-pyrazol-1-ylprop-1-ynyl)pyrimidine is sourced from PubChem (CID 122242182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).