4-(5-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine

C13H15Cl2N3 — CID 4999242

IUPAC4-(5-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine
SMILESCc1cc(C(C)(C)C)n(-c2c(Cl)cncc2Cl)n1
InChIInChI=1S/C13H15Cl2N3/c1-8-5-11(13(2,3)4)18(17-8)12-9(14)6-16-7-10(12)15/h5-7H,1-4H3
InChIKeyXOUCMZFGJSFIEJ-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.18
Rot. Bonds1

About 4-(5-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine

4-(5-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine (PubChem CID 4999242) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 4-(5-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine.

Molecular Properties

Compound Name4-(5-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine
PubChem CID4999242
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name4-(5-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine
SMILESCc1cc(C(C)(C)C)n(-c2c(Cl)cncc2Cl)n1
InChIInChI=1S/C13H15Cl2N3/c1-8-5-11(13(2,3)4)18(17-8)12-9(14)6-16-7-10(12)15/h5-7H,1-4H3
InChIKeyXOUCMZFGJSFIEJ-UHFFFAOYSA-N
XLogP4.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(5-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine 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-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine?
The IUPAC name of 4-(5-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine (CID 4999242) is 4-(5-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine.
What is the SMILES notation for 4-(5-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine?
The canonical SMILES for 4-(5-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine is Cc1cc(C(C)(C)C)n(-c2c(Cl)cncc2Cl)n1.
What is the InChIKey of 4-(5-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine?
The InChIKey is XOUCMZFGJSFIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-8-5-11(13(2,3)4)18(17-8)12-9(14)6-16-7-10(12)15/h5-7H,1-4H3.
What are the key properties of 4-(5-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine?
4-(5-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine has a molecular weight of 284.19 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine is sourced from PubChem (CID 4999242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).