1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc

C9H13N2OZn- — CID 175423352

IUPAC1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc
SMILESCn1cc(C2C[CH-]CCO2)cn1.[Zn]
InChIInChI=1S/C9H13N2O.Zn/c1-11-7-8(6-10-11)9-4-2-3-5-12-9;/h2,6-7,9H,3-5H2,1H3;/q-1;
InChIKeyVIADWGLEVJEKHW-UHFFFAOYSA-N
MW230.61 g/mol
LogP1.47
Rot. Bonds1

About 1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc

1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc (PubChem CID 175423352) has the molecular formula C9H13N2OZn- and a molecular weight of 230.61 g/mol. Its IUPAC name is 1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc.

Molecular Properties

Compound Name1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc
PubChem CID175423352
Molecular FormulaC9H13N2OZn-
Molecular Weight230.61 g/mol
Exact Mass229.03
IUPAC Name1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc
SMILESCn1cc(C2C[CH-]CCO2)cn1.[Zn]
InChIInChI=1S/C9H13N2O.Zn/c1-11-7-8(6-10-11)9-4-2-3-5-12-9;/h2,6-7,9H,3-5H2,1H3;/q-1;
InChIKeyVIADWGLEVJEKHW-UHFFFAOYSA-N
XLogP1.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.61
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc 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-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc?
The IUPAC name of 1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc (CID 175423352) is 1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc.
What is the SMILES notation for 1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc?
The canonical SMILES for 1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc is Cn1cc(C2C[CH-]CCO2)cn1.[Zn].
What is the InChIKey of 1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc?
The InChIKey is VIADWGLEVJEKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O.Zn/c1-11-7-8(6-10-11)9-4-2-3-5-12-9;/h2,6-7,9H,3-5H2,1H3;/q-1;.
What are the key properties of 1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc?
1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc has a molecular weight of 230.61 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc is sourced from PubChem (CID 175423352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).