4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]-2-methylsulfanylpyrimidine

C15H20N4S — CID 126558489

IUPAC4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2cnn(C(C)C)c2CC2CC2)n1
InChIInChI=1S/C15H20N4S/c1-10(2)19-14(8-11-4-5-11)12(9-17-19)13-6-7-16-15(18-13)20-3/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyWUOWEVVIUPMTMT-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.60
Rot. Bonds5

About 4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]-2-methylsulfanylpyrimidine

4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]-2-methylsulfanylpyrimidine (PubChem CID 126558489) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]-2-methylsulfanylpyrimidine
PubChem CID126558489
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2cnn(C(C)C)c2CC2CC2)n1
InChIInChI=1S/C15H20N4S/c1-10(2)19-14(8-11-4-5-11)12(9-17-19)13-6-7-16-15(18-13)20-3/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyWUOWEVVIUPMTMT-UHFFFAOYSA-N
XLogP3.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[5-(cyclopropylmethyl)-1-propan-2-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-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]-2-methylsulfanylpyrimidine?
The IUPAC name of 4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]-2-methylsulfanylpyrimidine (CID 126558489) is 4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]-2-methylsulfanylpyrimidine is CSc1nccc(-c2cnn(C(C)C)c2CC2CC2)n1.
What is the InChIKey of 4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]-2-methylsulfanylpyrimidine?
The InChIKey is WUOWEVVIUPMTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-10(2)19-14(8-11-4-5-11)12(9-17-19)13-6-7-16-15(18-13)20-3/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of 4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]-2-methylsulfanylpyrimidine?
4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]-2-methylsulfanylpyrimidine has a molecular weight of 288.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]-2-methylsulfanylpyrimidine is sourced from PubChem (CID 126558489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).