4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine

C15H13ClN4 — CID 79583813

IUPAC4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine
SMILESCc1c(-c2nc(Cl)cc(-c3ccccc3)n2)cnn1C
InChIInChI=1S/C15H13ClN4/c1-10-12(9-17-20(10)2)15-18-13(8-14(16)19-15)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyVLLPNYFYYFDOJY-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.51
Rot. Bonds2

About 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine

4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine (PubChem CID 79583813) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine
PubChem CID79583813
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine
SMILESCc1c(-c2nc(Cl)cc(-c3ccccc3)n2)cnn1C
InChIInChI=1S/C15H13ClN4/c1-10-12(9-17-20(10)2)15-18-13(8-14(16)19-15)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyVLLPNYFYYFDOJY-UHFFFAOYSA-N
XLogP3.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine 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-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine?
The IUPAC name of 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine (CID 79583813) is 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine?
The canonical SMILES for 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine is Cc1c(-c2nc(Cl)cc(-c3ccccc3)n2)cnn1C.
What is the InChIKey of 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine?
The InChIKey is VLLPNYFYYFDOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-10-12(9-17-20(10)2)15-18-13(8-14(16)19-15)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine?
4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine has a molecular weight of 284.75 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine is sourced from PubChem (CID 79583813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).