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

C17H22N6 — CID 135914481

IUPAC1-cyclohexyl-5-(5-methyl-1-prop-2-enylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole
SMILESC=CCn1ncc(-c2nc3c(cnn3C3CCCCC3)[nH]2)c1C
InChIInChI=1S/C17H22N6/c1-3-9-22-12(2)14(10-18-22)16-20-15-11-19-23(17(15)21-16)13-7-5-4-6-8-13/h3,10-11,13H,1,4-9H2,2H3,(H,20,21)
InChIKeyIBSROYODTYTZFI-UHFFFAOYSA-N
MW310.41 g/mol
LogP3.62
Rot. Bonds4

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

1-cyclohexyl-5-(5-methyl-1-prop-2-enylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135914481) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is 1-cyclohexyl-5-(5-methyl-1-prop-2-enylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-cyclohexyl-5-(5-methyl-1-prop-2-enylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135914481
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC Name1-cyclohexyl-5-(5-methyl-1-prop-2-enylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole
SMILESC=CCn1ncc(-c2nc3c(cnn3C3CCCCC3)[nH]2)c1C
InChIInChI=1S/C17H22N6/c1-3-9-22-12(2)14(10-18-22)16-20-15-11-19-23(17(15)21-16)13-7-5-4-6-8-13/h3,10-11,13H,1,4-9H2,2H3,(H,20,21)
InChIKeyIBSROYODTYTZFI-UHFFFAOYSA-N
XLogP3.62
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-5-(5-methyl-1-prop-2-enylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-(5-methyl-1-prop-2-enylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-cyclohexyl-5-(5-methyl-1-prop-2-enylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole (CID 135914481) is 1-cyclohexyl-5-(5-methyl-1-prop-2-enylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-cyclohexyl-5-(5-methyl-1-prop-2-enylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-cyclohexyl-5-(5-methyl-1-prop-2-enylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole is C=CCn1ncc(-c2nc3c(cnn3C3CCCCC3)[nH]2)c1C.
What is the InChIKey of 1-cyclohexyl-5-(5-methyl-1-prop-2-enylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is IBSROYODTYTZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-3-9-22-12(2)14(10-18-22)16-20-15-11-19-23(17(15)21-16)13-7-5-4-6-8-13/h3,10-11,13H,1,4-9H2,2H3,(H,20,21).
What are the key properties of 1-cyclohexyl-5-(5-methyl-1-prop-2-enylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
1-cyclohexyl-5-(5-methyl-1-prop-2-enylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 310.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(5-methyl-1-prop-2-enylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135914481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).