4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpyrimidine

C15H15N5S — CID 142395417

IUPAC4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpyrimidine
SMILESCCn1cc(-c2ccnc(SC)n2)c(-c2cccnc2)n1
InChIInChI=1S/C15H15N5S/c1-3-20-10-12(13-6-8-17-15(18-13)21-2)14(19-20)11-5-4-7-16-9-11/h4-10H,3H2,1-2H3
InChIKeyXGYKWRIQUCMKOO-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.14
Rot. Bonds4

About 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpyrimidine

4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpyrimidine (PubChem CID 142395417) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpyrimidine
PubChem CID142395417
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpyrimidine
SMILESCCn1cc(-c2ccnc(SC)n2)c(-c2cccnc2)n1
InChIInChI=1S/C15H15N5S/c1-3-20-10-12(13-6-8-17-15(18-13)21-2)14(19-20)11-5-4-7-16-9-11/h4-10H,3H2,1-2H3
InChIKeyXGYKWRIQUCMKOO-UHFFFAOYSA-N
XLogP3.14
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpyrimidine (CID 142395417) is 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpyrimidine is CCn1cc(-c2ccnc(SC)n2)c(-c2cccnc2)n1.
What is the InChIKey of 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpyrimidine?
The InChIKey is XGYKWRIQUCMKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-3-20-10-12(13-6-8-17-15(18-13)21-2)14(19-20)11-5-4-7-16-9-11/h4-10H,3H2,1-2H3.
What are the key properties of 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpyrimidine?
4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpyrimidine has a molecular weight of 297.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 142395417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).