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

C12H16N6 — CID 135888202

IUPAC3-methyl-5-(3-methylimidazol-4-yl)-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole
SMILESCc1nn(C(C)C)c2nc(-c3cncn3C)[nH]c12
InChIInChI=1S/C12H16N6/c1-7(2)18-12-10(8(3)16-18)14-11(15-12)9-5-13-6-17(9)4/h5-7H,1-4H3,(H,14,15)
InChIKeyVOWJTIWQJAOCLQ-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.05
Rot. Bonds2

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

3-methyl-5-(3-methylimidazol-4-yl)-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135888202) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-methyl-5-(3-methylimidazol-4-yl)-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name3-methyl-5-(3-methylimidazol-4-yl)-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole
PubChem CID135888202
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name3-methyl-5-(3-methylimidazol-4-yl)-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole
SMILESCc1nn(C(C)C)c2nc(-c3cncn3C)[nH]c12
InChIInChI=1S/C12H16N6/c1-7(2)18-12-10(8(3)16-18)14-11(15-12)9-5-13-6-17(9)4/h5-7H,1-4H3,(H,14,15)
InChIKeyVOWJTIWQJAOCLQ-UHFFFAOYSA-N
XLogP2.05
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10183946, Example 28
CID 121320521
1-ethyl-3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}pyrazol-4-amine
CID 25248658
N-[(2-ethylpyrazol-3-yl)methyl]-N,8-dimethyl-7H-purin-6-amine
CID 52104070
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
5-(1,2-dimethyl-1H-imidazol-5-yl)-1-methyl-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135888559
5-(1,2-dimethyl-1H-imidazol-5-yl)-3-methyl-1-(3-methylbutyl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135914450
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylimidazol-4-yl)-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 3-methyl-5-(3-methylimidazol-4-yl)-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole (CID 135888202) is 3-methyl-5-(3-methylimidazol-4-yl)-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 3-methyl-5-(3-methylimidazol-4-yl)-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 3-methyl-5-(3-methylimidazol-4-yl)-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole is Cc1nn(C(C)C)c2nc(-c3cncn3C)[nH]c12.
What is the InChIKey of 3-methyl-5-(3-methylimidazol-4-yl)-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is VOWJTIWQJAOCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-7(2)18-12-10(8(3)16-18)14-11(15-12)9-5-13-6-17(9)4/h5-7H,1-4H3,(H,14,15).
What are the key properties of 3-methyl-5-(3-methylimidazol-4-yl)-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole?
3-methyl-5-(3-methylimidazol-4-yl)-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 244.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylimidazol-4-yl)-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135888202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).