5-(3-methyl-1-prop-2-enylpyrazol-4-yl)-1-pentan-2-yl-4H-imidazo[4,5-d]pyrazole

C16H22N6 — CID 135906370

IUPAC5-(3-methyl-1-prop-2-enylpyrazol-4-yl)-1-pentan-2-yl-4H-imidazo[4,5-d]pyrazole
SMILESC=CCn1cc(-c2nc3c(cnn3C(C)CCC)[nH]2)c(C)n1
InChIInChI=1S/C16H22N6/c1-5-7-11(3)22-16-14(9-17-22)18-15(19-16)13-10-21(8-6-2)20-12(13)4/h6,9-11H,2,5,7-8H2,1,3-4H3,(H,18,19)
InChIKeyMGKQHDDEFZWGLE-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.48
Rot. Bonds6

About 5-(3-methyl-1-prop-2-enylpyrazol-4-yl)-1-pentan-2-yl-4H-imidazo[4,5-d]pyrazole

5-(3-methyl-1-prop-2-enylpyrazol-4-yl)-1-pentan-2-yl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135906370) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(3-methyl-1-prop-2-enylpyrazol-4-yl)-1-pentan-2-yl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(3-methyl-1-prop-2-enylpyrazol-4-yl)-1-pentan-2-yl-4H-imidazo[4,5-d]pyrazole
PubChem CID135906370
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name5-(3-methyl-1-prop-2-enylpyrazol-4-yl)-1-pentan-2-yl-4H-imidazo[4,5-d]pyrazole
SMILESC=CCn1cc(-c2nc3c(cnn3C(C)CCC)[nH]2)c(C)n1
InChIInChI=1S/C16H22N6/c1-5-7-11(3)22-16-14(9-17-22)18-15(19-16)13-10-21(8-6-2)20-12(13)4/h6,9-11H,2,5,7-8H2,1,3-4H3,(H,18,19)
InChIKeyMGKQHDDEFZWGLE-UHFFFAOYSA-N
XLogP3.48
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1-prop-2-enylpyrazol-4-yl)-1-pentan-2-yl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(3-methyl-1-prop-2-enylpyrazol-4-yl)-1-pentan-2-yl-4H-imidazo[4,5-d]pyrazole (CID 135906370) is 5-(3-methyl-1-prop-2-enylpyrazol-4-yl)-1-pentan-2-yl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(3-methyl-1-prop-2-enylpyrazol-4-yl)-1-pentan-2-yl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(3-methyl-1-prop-2-enylpyrazol-4-yl)-1-pentan-2-yl-4H-imidazo[4,5-d]pyrazole is C=CCn1cc(-c2nc3c(cnn3C(C)CCC)[nH]2)c(C)n1.
What is the InChIKey of 5-(3-methyl-1-prop-2-enylpyrazol-4-yl)-1-pentan-2-yl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is MGKQHDDEFZWGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-5-7-11(3)22-16-14(9-17-22)18-15(19-16)13-10-21(8-6-2)20-12(13)4/h6,9-11H,2,5,7-8H2,1,3-4H3,(H,18,19).
What are the key properties of 5-(3-methyl-1-prop-2-enylpyrazol-4-yl)-1-pentan-2-yl-4H-imidazo[4,5-d]pyrazole?
5-(3-methyl-1-prop-2-enylpyrazol-4-yl)-1-pentan-2-yl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 298.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1-prop-2-enylpyrazol-4-yl)-1-pentan-2-yl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135906370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).