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

C14H20N6O — CID 135860479

IUPAC5-[1-(2-methoxyethyl)imidazol-2-yl]-3-methyl-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole
SMILESCOCCn1ccnc1-c1nc2c([nH]1)c(C)nn2C(C)C
InChIInChI=1S/C14H20N6O/c1-9(2)20-13-11(10(3)18-20)16-12(17-13)14-15-5-6-19(14)7-8-21-4/h5-6,9H,7-8H2,1-4H3,(H,16,17)
InChIKeyGGQBUFDTKSBDMY-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.16
Rot. Bonds5

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

5-[1-(2-methoxyethyl)imidazol-2-yl]-3-methyl-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135860479) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 5-[1-(2-methoxyethyl)imidazol-2-yl]-3-methyl-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-[1-(2-methoxyethyl)imidazol-2-yl]-3-methyl-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole
PubChem CID135860479
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name5-[1-(2-methoxyethyl)imidazol-2-yl]-3-methyl-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole
SMILESCOCCn1ccnc1-c1nc2c([nH]1)c(C)nn2C(C)C
InChIInChI=1S/C14H20N6O/c1-9(2)20-13-11(10(3)18-20)16-12(17-13)14-15-5-6-19(14)7-8-21-4/h5-6,9H,7-8H2,1-4H3,(H,16,17)
InChIKeyGGQBUFDTKSBDMY-UHFFFAOYSA-N
XLogP2.16
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyethyl)imidazol-2-yl]-3-methyl-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-[1-(2-methoxyethyl)imidazol-2-yl]-3-methyl-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole (CID 135860479) is 5-[1-(2-methoxyethyl)imidazol-2-yl]-3-methyl-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-[1-(2-methoxyethyl)imidazol-2-yl]-3-methyl-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-[1-(2-methoxyethyl)imidazol-2-yl]-3-methyl-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole is COCCn1ccnc1-c1nc2c([nH]1)c(C)nn2C(C)C.
What is the InChIKey of 5-[1-(2-methoxyethyl)imidazol-2-yl]-3-methyl-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is GGQBUFDTKSBDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9(2)20-13-11(10(3)18-20)16-12(17-13)14-15-5-6-19(14)7-8-21-4/h5-6,9H,7-8H2,1-4H3,(H,16,17).
What are the key properties of 5-[1-(2-methoxyethyl)imidazol-2-yl]-3-methyl-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole?
5-[1-(2-methoxyethyl)imidazol-2-yl]-3-methyl-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 288.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyethyl)imidazol-2-yl]-3-methyl-1-propan-2-yl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135860479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).