5-tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole

C19H20Cl2N2 — CID 72696260

IUPAC5-tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole
SMILESCC(C)(C)C1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H20Cl2N2/c1-19(2,3)18-12-17(13-4-6-14(20)7-5-13)23(22-18)16-10-8-15(21)9-11-16/h4-11,17H,12H2,1-3H3
InChIKeyHWDGFXFLCBGAAK-UHFFFAOYSA-N
MW347.29 g/mol
LogP6.35
Rot. Bonds2

About 5-tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole

5-tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole (PubChem CID 72696260) has the molecular formula C19H20Cl2N2 and a molecular weight of 347.29 g/mol. Its IUPAC name is 5-tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole
PubChem CID72696260
Molecular FormulaC19H20Cl2N2
Molecular Weight347.29 g/mol
Exact Mass346.10
IUPAC Name5-tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole
SMILESCC(C)(C)C1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H20Cl2N2/c1-19(2,3)18-12-17(13-4-6-14(20)7-5-13)23(22-18)16-10-8-15(21)9-11-16/h4-11,17H,12H2,1-3H3
InChIKeyHWDGFXFLCBGAAK-UHFFFAOYSA-N
XLogP6.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.29
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole?
The IUPAC name of 5-tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole (CID 72696260) is 5-tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 5-tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole?
The canonical SMILES for 5-tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole is CC(C)(C)C1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 5-tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole?
The InChIKey is HWDGFXFLCBGAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2/c1-19(2,3)18-12-17(13-4-6-14(20)7-5-13)23(22-18)16-10-8-15(21)9-11-16/h4-11,17H,12H2,1-3H3.
What are the key properties of 5-tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole?
5-tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole has a molecular weight of 347.29 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 72696260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).