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

C14H18N6 — CID 56740104

IUPAC3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole
SMILESCc1cc(C)n(CCn2ccnc2-c2nc[nH]c2C)n1
InChIInChI=1S/C14H18N6/c1-10-8-11(2)20(18-10)7-6-19-5-4-15-14(19)13-12(3)16-9-17-13/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)
InChIKeyMEADGHREWARSRF-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.10
Rot. Bonds4

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

3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole (PubChem CID 56740104) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole
PubChem CID56740104
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole
SMILESCc1cc(C)n(CCn2ccnc2-c2nc[nH]c2C)n1
InChIInChI=1S/C14H18N6/c1-10-8-11(2)20(18-10)7-6-19-5-4-15-14(19)13-12(3)16-9-17-13/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)
InChIKeyMEADGHREWARSRF-UHFFFAOYSA-N
XLogP2.10
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.10
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-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole (CID 56740104) is 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole is Cc1cc(C)n(CCn2ccnc2-c2nc[nH]c2C)n1.
What is the InChIKey of 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole?
The InChIKey is MEADGHREWARSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-10-8-11(2)20(18-10)7-6-19-5-4-15-14(19)13-12(3)16-9-17-13/h4-5,8-9H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole?
3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole has a molecular weight of 270.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole is sourced from PubChem (CID 56740104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).