1-(cyclohex-3-en-1-ylmethyl)-5-(2,5-dimethylpyrazol-3-yl)-4H-imidazo[4,5-d]pyrazole

C16H20N6 — CID 135887665

IUPAC1-(cyclohex-3-en-1-ylmethyl)-5-(2,5-dimethylpyrazol-3-yl)-4H-imidazo[4,5-d]pyrazole
SMILESCc1cc(-c2nc3c(cnn3CC3CC=CCC3)[nH]2)n(C)n1
InChIInChI=1S/C16H20N6/c1-11-8-14(21(2)20-11)15-18-13-9-17-22(16(13)19-15)10-12-6-4-3-5-7-12/h3-4,8-9,12H,5-7,10H2,1-2H3,(H,18,19)
InChIKeyMTZFUSYWXIQNKA-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.82
Rot. Bonds3

About 1-(cyclohex-3-en-1-ylmethyl)-5-(2,5-dimethylpyrazol-3-yl)-4H-imidazo[4,5-d]pyrazole

1-(cyclohex-3-en-1-ylmethyl)-5-(2,5-dimethylpyrazol-3-yl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135887665) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-5-(2,5-dimethylpyrazol-3-yl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-5-(2,5-dimethylpyrazol-3-yl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135887665
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-5-(2,5-dimethylpyrazol-3-yl)-4H-imidazo[4,5-d]pyrazole
SMILESCc1cc(-c2nc3c(cnn3CC3CC=CCC3)[nH]2)n(C)n1
InChIInChI=1S/C16H20N6/c1-11-8-14(21(2)20-11)15-18-13-9-17-22(16(13)19-15)10-12-6-4-3-5-7-12/h3-4,8-9,12H,5-7,10H2,1-2H3,(H,18,19)
InChIKeyMTZFUSYWXIQNKA-UHFFFAOYSA-N
XLogP2.82
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.82
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 1-(cyclohex-3-en-1-ylmethyl)-5-(2,5-dimethylpyrazol-3-yl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-5-(2,5-dimethylpyrazol-3-yl)-4H-imidazo[4,5-d]pyrazole (CID 135887665) is 1-(cyclohex-3-en-1-ylmethyl)-5-(2,5-dimethylpyrazol-3-yl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-5-(2,5-dimethylpyrazol-3-yl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-5-(2,5-dimethylpyrazol-3-yl)-4H-imidazo[4,5-d]pyrazole is Cc1cc(-c2nc3c(cnn3CC3CC=CCC3)[nH]2)n(C)n1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-5-(2,5-dimethylpyrazol-3-yl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is MTZFUSYWXIQNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-11-8-14(21(2)20-11)15-18-13-9-17-22(16(13)19-15)10-12-6-4-3-5-7-12/h3-4,8-9,12H,5-7,10H2,1-2H3,(H,18,19).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-5-(2,5-dimethylpyrazol-3-yl)-4H-imidazo[4,5-d]pyrazole?
1-(cyclohex-3-en-1-ylmethyl)-5-(2,5-dimethylpyrazol-3-yl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 296.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-5-(2,5-dimethylpyrazol-3-yl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135887665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).