5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile

C12H11N3O2 — CID 139667768

IUPAC5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile
SMILESCOCOc1cc(C#N)nn1-c1ccccc1
InChIInChI=1S/C12H11N3O2/c1-16-9-17-12-7-10(8-13)14-15(12)11-5-3-2-4-6-11/h2-7H,9H2,1H3
InChIKeyYWIOCEZUUQTZMA-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.73
Rot. Bonds4

About 5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile

5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile (PubChem CID 139667768) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile
PubChem CID139667768
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile
SMILESCOCOc1cc(C#N)nn1-c1ccccc1
InChIInChI=1S/C12H11N3O2/c1-16-9-17-12-7-10(8-13)14-15(12)11-5-3-2-4-6-11/h2-7H,9H2,1H3
InChIKeyYWIOCEZUUQTZMA-UHFFFAOYSA-N
XLogP1.73
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile?
The IUPAC name of 5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile (CID 139667768) is 5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile.
What is the SMILES notation for 5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile?
The canonical SMILES for 5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile is COCOc1cc(C#N)nn1-c1ccccc1.
What is the InChIKey of 5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile?
The InChIKey is YWIOCEZUUQTZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-16-9-17-12-7-10(8-13)14-15(12)11-5-3-2-4-6-11/h2-7H,9H2,1H3.
What are the key properties of 5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile?
5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile has a molecular weight of 229.24 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile is sourced from PubChem (CID 139667768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).