3,5-dimethyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrazole

C15H16N4 — CID 18971151

IUPAC3,5-dimethyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrazole
SMILESCC1=CC(C)(c2ncc(-c3cccc(C)c3)[nH]2)N=N1
InChIInChI=1S/C15H16N4/c1-10-5-4-6-12(7-10)13-9-16-14(17-13)15(3)8-11(2)18-19-15/h4-9H,1-3H3,(H,16,17)
InChIKeyAFVDBXNILWIJOC-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.97
Rot. Bonds2

About 3,5-dimethyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrazole

3,5-dimethyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrazole (PubChem CID 18971151) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3,5-dimethyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrazole
PubChem CID18971151
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3,5-dimethyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrazole
SMILESCC1=CC(C)(c2ncc(-c3cccc(C)c3)[nH]2)N=N1
InChIInChI=1S/C15H16N4/c1-10-5-4-6-12(7-10)13-9-16-14(17-13)15(3)8-11(2)18-19-15/h4-9H,1-3H3,(H,16,17)
InChIKeyAFVDBXNILWIJOC-UHFFFAOYSA-N
XLogP3.97
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrazole?
The IUPAC name of 3,5-dimethyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrazole (CID 18971151) is 3,5-dimethyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrazole?
The canonical SMILES for 3,5-dimethyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrazole is CC1=CC(C)(c2ncc(-c3cccc(C)c3)[nH]2)N=N1.
What is the InChIKey of 3,5-dimethyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrazole?
The InChIKey is AFVDBXNILWIJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10-5-4-6-12(7-10)13-9-16-14(17-13)15(3)8-11(2)18-19-15/h4-9H,1-3H3,(H,16,17).
What are the key properties of 3,5-dimethyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrazole?
3,5-dimethyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrazole has a molecular weight of 252.32 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrazole is sourced from PubChem (CID 18971151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).