3-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole

C8H12N4 — CID 18506506

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole
SMILESCC1=CC(C)(C2=NCCN2)N=N1
InChIInChI=1S/C8H12N4/c1-6-5-8(2,12-11-6)7-9-3-4-10-7/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyOEXAINXGULSWHW-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.12
Rot. Bonds1

About 3-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole

3-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole (PubChem CID 18506506) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole
PubChem CID18506506
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole
SMILESCC1=CC(C)(C2=NCCN2)N=N1
InChIInChI=1S/C8H12N4/c1-6-5-8(2,12-11-6)7-9-3-4-10-7/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyOEXAINXGULSWHW-UHFFFAOYSA-N
XLogP1.12
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole (CID 18506506) is 3-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole is CC1=CC(C)(C2=NCCN2)N=N1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole?
The InChIKey is OEXAINXGULSWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-6-5-8(2,12-11-6)7-9-3-4-10-7/h5H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole?
3-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole has a molecular weight of 164.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole is sourced from PubChem (CID 18506506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).