5-(2,3-dimethylimidazol-4-yl)-3-methyl-1-(3-methylbutyl)-4H-imidazo[4,5-d]pyrazole

C15H22N6 — CID 135914450

IUPAC5-(2,3-dimethylimidazol-4-yl)-3-methyl-1-(3-methylbutyl)-4H-imidazo[4,5-d]pyrazole
SMILESCc1nn(CCC(C)C)c2nc(-c3cnc(C)n3C)[nH]c12
InChIInChI=1S/C15H22N6/c1-9(2)6-7-21-15-13(10(3)19-21)17-14(18-15)12-8-16-11(4)20(12)5/h8-9H,6-7H2,1-5H3,(H,17,18)
InChIKeyAVRLZNCEFULIPD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.82
Rot. Bonds4

About 5-(2,3-dimethylimidazol-4-yl)-3-methyl-1-(3-methylbutyl)-4H-imidazo[4,5-d]pyrazole

5-(2,3-dimethylimidazol-4-yl)-3-methyl-1-(3-methylbutyl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135914450) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-methyl-1-(3-methylbutyl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-3-methyl-1-(3-methylbutyl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135914450
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-3-methyl-1-(3-methylbutyl)-4H-imidazo[4,5-d]pyrazole
SMILESCc1nn(CCC(C)C)c2nc(-c3cnc(C)n3C)[nH]c12
InChIInChI=1S/C15H22N6/c1-9(2)6-7-21-15-13(10(3)19-21)17-14(18-15)12-8-16-11(4)20(12)5/h8-9H,6-7H2,1-5H3,(H,17,18)
InChIKeyAVRLZNCEFULIPD-UHFFFAOYSA-N
XLogP2.82
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10183946, Example 28
CID 121320521
N-(1-ethyl-5-methylpyrazol-4-yl)-8-methyl-7H-purin-6-amine
CID 52104079
1-ethyl-5-(5-methyl-1-propyl-1H-pyrazol-4-yl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135966217
1-ethyl-5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135966314
1-isopropyl-5-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-3-methyl-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135860479
5-(1-isopropyl-1H-pyrazol-4-yl)-3-methyl-1-propyl-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135876452
1-isopropyl-3-methyl-5-(1-methyl-1H-imidazol-5-yl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135888202
5-(1,2-dimethyl-1H-imidazol-5-yl)-1-methyl-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135888559
5-(2,2-Dimethylpropyl)-1-isobutyl-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135966200
5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-methyl-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135966254
5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole
CID 136902568
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-5-(2,3-dimethylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole
CID 164630604

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-methyl-1-(3-methylbutyl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-methyl-1-(3-methylbutyl)-4H-imidazo[4,5-d]pyrazole (CID 135914450) is 5-(2,3-dimethylimidazol-4-yl)-3-methyl-1-(3-methylbutyl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-3-methyl-1-(3-methylbutyl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-methyl-1-(3-methylbutyl)-4H-imidazo[4,5-d]pyrazole is Cc1nn(CCC(C)C)c2nc(-c3cnc(C)n3C)[nH]c12.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-3-methyl-1-(3-methylbutyl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is AVRLZNCEFULIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-9(2)6-7-21-15-13(10(3)19-21)17-14(18-15)12-8-16-11(4)20(12)5/h8-9H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-3-methyl-1-(3-methylbutyl)-4H-imidazo[4,5-d]pyrazole?
5-(2,3-dimethylimidazol-4-yl)-3-methyl-1-(3-methylbutyl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 286.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylimidazol-4-yl)-3-methyl-1-(3-methylbutyl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135914450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).