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

C11H14N6 — CID 135966254

IUPAC5-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole
SMILESCCn1ncc(-c2nc3c(cnn3C)[nH]2)c1C
InChIInChI=1S/C11H14N6/c1-4-17-7(2)8(5-13-17)10-14-9-6-12-16(3)11(9)15-10/h5-6H,4H2,1-3H3,(H,14,15)
InChIKeyTUNZIBVBLVZFSO-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.49
Rot. Bonds2

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

5-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135966254) has the molecular formula C11H14N6 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole
PubChem CID135966254
Molecular FormulaC11H14N6
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name5-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole
SMILESCCn1ncc(-c2nc3c(cnn3C)[nH]2)c1C
InChIInChI=1S/C11H14N6/c1-4-17-7(2)8(5-13-17)10-14-9-6-12-16(3)11(9)15-10/h5-6H,4H2,1-3H3,(H,14,15)
InChIKeyTUNZIBVBLVZFSO-UHFFFAOYSA-N
XLogP1.49
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.49
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-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-(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-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole
CID 136902568

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole (CID 135966254) is 5-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole is CCn1ncc(-c2nc3c(cnn3C)[nH]2)c1C.
What is the InChIKey of 5-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is TUNZIBVBLVZFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-4-17-7(2)8(5-13-17)10-14-9-6-12-16(3)11(9)15-10/h5-6H,4H2,1-3H3,(H,14,15).
What are the key properties of 5-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole?
5-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 230.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135966254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).