1-ethyl-5-(1-ethyl-5-methylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole

C12H16N6 — CID 135966314

IUPAC1-ethyl-5-(1-ethyl-5-methylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole
SMILESCCn1ncc(-c2nc3c(cnn3CC)[nH]2)c1C
InChIInChI=1S/C12H16N6/c1-4-17-8(3)9(6-13-17)11-15-10-7-14-18(5-2)12(10)16-11/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyPGWGGWZLCXVICG-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.97
Rot. Bonds3

About 1-ethyl-5-(1-ethyl-5-methylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole

1-ethyl-5-(1-ethyl-5-methylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135966314) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-ethyl-5-(1-ethyl-5-methylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-ethyl-5-(1-ethyl-5-methylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135966314
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name1-ethyl-5-(1-ethyl-5-methylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole
SMILESCCn1ncc(-c2nc3c(cnn3CC)[nH]2)c1C
InChIInChI=1S/C12H16N6/c1-4-17-8(3)9(6-13-17)11-15-10-7-14-18(5-2)12(10)16-11/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyPGWGGWZLCXVICG-UHFFFAOYSA-N
XLogP1.97
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.97
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)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 52104028
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-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-(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
1-ethyl-5-(5-isobutyl-1H-pyrazol-3-yl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 136092974

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(1-ethyl-5-methylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-ethyl-5-(1-ethyl-5-methylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole (CID 135966314) is 1-ethyl-5-(1-ethyl-5-methylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-ethyl-5-(1-ethyl-5-methylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-ethyl-5-(1-ethyl-5-methylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole is CCn1ncc(-c2nc3c(cnn3CC)[nH]2)c1C.
What is the InChIKey of 1-ethyl-5-(1-ethyl-5-methylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is PGWGGWZLCXVICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-4-17-8(3)9(6-13-17)11-15-10-7-14-18(5-2)12(10)16-11/h6-7H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 1-ethyl-5-(1-ethyl-5-methylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
1-ethyl-5-(1-ethyl-5-methylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 244.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(1-ethyl-5-methylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135966314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).