3,5-dimethyl-1-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]pyrazole

C15H20N6 — CID 56751111

IUPAC3,5-dimethyl-1-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]pyrazole
SMILESCc1cc(C)n(CCCn2ccnc2-c2nc[nH]c2C)n1
InChIInChI=1S/C15H20N6/c1-11-9-12(2)21(19-11)7-4-6-20-8-5-16-15(20)14-13(3)17-10-18-14/h5,8-10H,4,6-7H2,1-3H3,(H,17,18)
InChIKeyQEACUBUPMRPKRQ-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.49
Rot. Bonds5

About 3,5-dimethyl-1-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]pyrazole

3,5-dimethyl-1-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]pyrazole (PubChem CID 56751111) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 3,5-dimethyl-1-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]pyrazole
PubChem CID56751111
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name3,5-dimethyl-1-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]pyrazole
SMILESCc1cc(C)n(CCCn2ccnc2-c2nc[nH]c2C)n1
InChIInChI=1S/C15H20N6/c1-11-9-12(2)21(19-11)7-4-6-20-8-5-16-15(20)14-13(3)17-10-18-14/h5,8-10H,4,6-7H2,1-3H3,(H,17,18)
InChIKeyQEACUBUPMRPKRQ-UHFFFAOYSA-N
XLogP2.49
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]pyrazole (CID 56751111) is 3,5-dimethyl-1-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]pyrazole is Cc1cc(C)n(CCCn2ccnc2-c2nc[nH]c2C)n1.
What is the InChIKey of 3,5-dimethyl-1-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]pyrazole?
The InChIKey is QEACUBUPMRPKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-11-9-12(2)21(19-11)7-4-6-20-8-5-16-15(20)14-13(3)17-10-18-14/h5,8-10H,4,6-7H2,1-3H3,(H,17,18).
What are the key properties of 3,5-dimethyl-1-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]pyrazole?
3,5-dimethyl-1-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]pyrazole has a molecular weight of 284.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]pyrazole is sourced from PubChem (CID 56751111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).