4-deuterio-1-phenylmethoxypyrazole

C10H10N2O — CID 10773589

IUPAC4-deuterio-1-phenylmethoxypyrazole
SMILES[2H]c1cnn(OCc2ccccc2)c1
InChIInChI=1S/C10H10N2O/c1-2-5-10(6-3-1)9-13-12-8-4-7-11-12/h1-8H,9H2/i4D
InChIKeyXQEPQBYKPDAGIZ-QYKNYGDISA-N
MW175.21 g/mol
LogP1.51
Rot. Bonds3

About 4-deuterio-1-phenylmethoxypyrazole

4-deuterio-1-phenylmethoxypyrazole (PubChem CID 10773589) has the molecular formula C10H10N2O and a molecular weight of 175.21 g/mol. Its IUPAC name is 4-deuterio-1-phenylmethoxypyrazole.

Molecular Properties

Compound Name4-deuterio-1-phenylmethoxypyrazole
PubChem CID10773589
Molecular FormulaC10H10N2O
Molecular Weight175.21 g/mol
Exact Mass175.09
IUPAC Name4-deuterio-1-phenylmethoxypyrazole
SMILES[2H]c1cnn(OCc2ccccc2)c1
InChIInChI=1S/C10H10N2O/c1-2-5-10(6-3-1)9-13-12-8-4-7-11-12/h1-8H,9H2/i4D
InChIKeyXQEPQBYKPDAGIZ-QYKNYGDISA-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 ≤ 500175.21
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-deuterio-1-phenylmethoxypyrazole?
The IUPAC name of 4-deuterio-1-phenylmethoxypyrazole (CID 10773589) is 4-deuterio-1-phenylmethoxypyrazole.
What is the SMILES notation for 4-deuterio-1-phenylmethoxypyrazole?
The canonical SMILES for 4-deuterio-1-phenylmethoxypyrazole is [2H]c1cnn(OCc2ccccc2)c1.
What is the InChIKey of 4-deuterio-1-phenylmethoxypyrazole?
The InChIKey is XQEPQBYKPDAGIZ-QYKNYGDISA-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/i4D.
What are the key properties of 4-deuterio-1-phenylmethoxypyrazole?
4-deuterio-1-phenylmethoxypyrazole has a molecular weight of 175.21 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 4-deuterio-1-phenylmethoxypyrazole is sourced from PubChem (CID 10773589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).