1-methyl-2-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]imidazole

C12H14N6 — CID 56865144

IUPAC1-methyl-2-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]imidazole
SMILESCn1ccnc1-c1nccn1CCn1cccn1
InChIInChI=1S/C12H14N6/c1-16-7-4-13-11(16)12-14-5-8-17(12)9-10-18-6-2-3-15-18/h2-8H,9-10H2,1H3
InChIKeyAEZNHKJGWZDLGQ-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.18
Rot. Bonds4

About 1-methyl-2-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]imidazole

1-methyl-2-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]imidazole (PubChem CID 56865144) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-methyl-2-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]imidazole
PubChem CID56865144
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name1-methyl-2-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]imidazole
SMILESCn1ccnc1-c1nccn1CCn1cccn1
InChIInChI=1S/C12H14N6/c1-16-7-4-13-11(16)12-14-5-8-17(12)9-10-18-6-2-3-15-18/h2-8H,9-10H2,1H3
InChIKeyAEZNHKJGWZDLGQ-UHFFFAOYSA-N
XLogP1.18
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]imidazole?
The IUPAC name of 1-methyl-2-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]imidazole (CID 56865144) is 1-methyl-2-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]imidazole.
What is the SMILES notation for 1-methyl-2-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]imidazole?
The canonical SMILES for 1-methyl-2-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]imidazole is Cn1ccnc1-c1nccn1CCn1cccn1.
What is the InChIKey of 1-methyl-2-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]imidazole?
The InChIKey is AEZNHKJGWZDLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-16-7-4-13-11(16)12-14-5-8-17(12)9-10-18-6-2-3-15-18/h2-8H,9-10H2,1H3.
What are the key properties of 1-methyl-2-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]imidazole?
1-methyl-2-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]imidazole has a molecular weight of 242.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]imidazole is sourced from PubChem (CID 56865144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).