4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole

C13H14Cl2N2 — CID 118329284

IUPAC4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole
SMILESCC(C)(C)C1C=NN=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2/c1-13(2,3)10-7-16-17-12(10)9-5-4-8(14)6-11(9)15/h4-7,10H,1-3H3
InChIKeyVNTGFLKLTRSUAN-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.44
Rot. Bonds1

About 4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole

4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole (PubChem CID 118329284) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole.

Molecular Properties

Compound Name4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole
PubChem CID118329284
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole
SMILESCC(C)(C)C1C=NN=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2/c1-13(2,3)10-7-16-17-12(10)9-5-4-8(14)6-11(9)15/h4-7,10H,1-3H3
InChIKeyVNTGFLKLTRSUAN-UHFFFAOYSA-N
XLogP4.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole?
The IUPAC name of 4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole (CID 118329284) is 4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole.
What is the SMILES notation for 4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole?
The canonical SMILES for 4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole is CC(C)(C)C1C=NN=C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole?
The InChIKey is VNTGFLKLTRSUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-13(2,3)10-7-16-17-12(10)9-5-4-8(14)6-11(9)15/h4-7,10H,1-3H3.
What are the key properties of 4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole?
4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole has a molecular weight of 269.18 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole is sourced from PubChem (CID 118329284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).