3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole

C22H22N4 — CID 159817275

IUPAC3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole
SMILESCc1cc(C)n(-c2cccc(Cc3cccc(-c4cc(C)[nH]n4)c3)c2)n1
InChIInChI=1S/C22H22N4/c1-15-11-22(24-23-15)20-8-4-6-18(13-20)12-19-7-5-9-21(14-19)26-17(3)10-16(2)25-26/h4-11,13-14H,12H2,1-3H3,(H,23,24)
InChIKeyJHEJWNDOGIRFLV-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.78
Rot. Bonds4

About 3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole

3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole (PubChem CID 159817275) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole
PubChem CID159817275
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole
SMILESCc1cc(C)n(-c2cccc(Cc3cccc(-c4cc(C)[nH]n4)c3)c2)n1
InChIInChI=1S/C22H22N4/c1-15-11-22(24-23-15)20-8-4-6-18(13-20)12-19-7-5-9-21(14-19)26-17(3)10-16(2)25-26/h4-11,13-14H,12H2,1-3H3,(H,23,24)
InChIKeyJHEJWNDOGIRFLV-UHFFFAOYSA-N
XLogP4.78
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole (CID 159817275) is 3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole is Cc1cc(C)n(-c2cccc(Cc3cccc(-c4cc(C)[nH]n4)c3)c2)n1.
What is the InChIKey of 3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole?
The InChIKey is JHEJWNDOGIRFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-15-11-22(24-23-15)20-8-4-6-18(13-20)12-19-7-5-9-21(14-19)26-17(3)10-16(2)25-26/h4-11,13-14H,12H2,1-3H3,(H,23,24).
What are the key properties of 3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole?
3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole has a molecular weight of 342.45 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole is sourced from PubChem (CID 159817275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).