3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole

C10H14N4 — CID 63812081

IUPAC3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole
SMILESCc1cc(C)n(Cc2nccn2C)n1
InChIInChI=1S/C10H14N4/c1-8-6-9(2)14(12-8)7-10-11-4-5-13(10)3/h4-6H,7H2,1-3H3
InChIKeyAGMPBHOVVHJSGG-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.28
Rot. Bonds2

About 3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole

3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole (PubChem CID 63812081) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole
PubChem CID63812081
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole
SMILESCc1cc(C)n(Cc2nccn2C)n1
InChIInChI=1S/C10H14N4/c1-8-6-9(2)14(12-8)7-10-11-4-5-13(10)3/h4-6H,7H2,1-3H3
InChIKeyAGMPBHOVVHJSGG-UHFFFAOYSA-N
XLogP1.28
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole (CID 63812081) is 3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole is Cc1cc(C)n(Cc2nccn2C)n1.
What is the InChIKey of 3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole?
The InChIKey is AGMPBHOVVHJSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-8-6-9(2)14(12-8)7-10-11-4-5-13(10)3/h4-6H,7H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole?
3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole has a molecular weight of 190.25 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole is sourced from PubChem (CID 63812081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).