1-phenylmethoxypyrazole

C10H10N2O — CID 10058015

IUPAC1-phenylmethoxypyrazole
SMILESc1ccc(COn2cccn2)cc1
InChIInChI=1S/C10H10N2O/c1-2-5-10(6-3-1)9-13-12-8-4-7-11-12/h1-8H,9H2
InChIKeyXQEPQBYKPDAGIZ-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.51
Rot. Bonds3

About 1-phenylmethoxypyrazole

1-phenylmethoxypyrazole (PubChem CID 10058015) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-phenylmethoxypyrazole.

Molecular Properties

Compound Name1-phenylmethoxypyrazole
PubChem CID10058015
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-phenylmethoxypyrazole
SMILESc1ccc(COn2cccn2)cc1
InChIInChI=1S/C10H10N2O/c1-2-5-10(6-3-1)9-13-12-8-4-7-11-12/h1-8H,9H2
InChIKeyXQEPQBYKPDAGIZ-UHFFFAOYSA-N
XLogP1.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxypyrazole?
The IUPAC name of 1-phenylmethoxypyrazole (CID 10058015) is 1-phenylmethoxypyrazole.
What is the SMILES notation for 1-phenylmethoxypyrazole?
The canonical SMILES for 1-phenylmethoxypyrazole is c1ccc(COn2cccn2)cc1.
What is the InChIKey of 1-phenylmethoxypyrazole?
The InChIKey is XQEPQBYKPDAGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-5-10(6-3-1)9-13-12-8-4-7-11-12/h1-8H,9H2.
What are the key properties of 1-phenylmethoxypyrazole?
1-phenylmethoxypyrazole has a molecular weight of 174.20 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxypyrazole is sourced from PubChem (CID 10058015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).