5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole

C23H28N2 — CID 153435552

IUPAC5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole
SMILESCc1nn(-c2ccccc2)c(-c2c(C(C)C)cccc2C(C)C)c1C
InChIInChI=1S/C23H28N2/c1-15(2)20-13-10-14-21(16(3)4)22(20)23-17(5)18(6)24-25(23)19-11-8-7-9-12-19/h7-16H,1-6H3
InChIKeyMKFFJVIFVSJVIU-UHFFFAOYSA-N
MW332.49 g/mol
LogP6.40
Rot. Bonds4

About 5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole

5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole (PubChem CID 153435552) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole.

Molecular Properties

Compound Name5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole
PubChem CID153435552
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole
SMILESCc1nn(-c2ccccc2)c(-c2c(C(C)C)cccc2C(C)C)c1C
InChIInChI=1S/C23H28N2/c1-15(2)20-13-10-14-21(16(3)4)22(20)23-17(5)18(6)24-25(23)19-11-8-7-9-12-19/h7-16H,1-6H3
InChIKeyMKFFJVIFVSJVIU-UHFFFAOYSA-N
XLogP6.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole?
The IUPAC name of 5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole (CID 153435552) is 5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole.
What is the SMILES notation for 5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole?
The canonical SMILES for 5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole is Cc1nn(-c2ccccc2)c(-c2c(C(C)C)cccc2C(C)C)c1C.
What is the InChIKey of 5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole?
The InChIKey is MKFFJVIFVSJVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-15(2)20-13-10-14-21(16(3)4)22(20)23-17(5)18(6)24-25(23)19-11-8-7-9-12-19/h7-16H,1-6H3.
What are the key properties of 5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole?
5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole has a molecular weight of 332.49 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole is sourced from PubChem (CID 153435552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).