4-methoxy-1-phenylpyrazole

C10H10N2O — CID 18622361

IUPAC4-methoxy-1-phenylpyrazole
SMILESCOc1cnn(-c2ccccc2)c1
InChIInChI=1S/C10H10N2O/c1-13-10-7-11-12(8-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyYJNLFEKRVKNKDH-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.88
Rot. Bonds2

About 4-methoxy-1-phenylpyrazole

4-methoxy-1-phenylpyrazole (PubChem CID 18622361) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-methoxy-1-phenylpyrazole.

Molecular Properties

Compound Name4-methoxy-1-phenylpyrazole
PubChem CID18622361
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name4-methoxy-1-phenylpyrazole
SMILESCOc1cnn(-c2ccccc2)c1
InChIInChI=1S/C10H10N2O/c1-13-10-7-11-12(8-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyYJNLFEKRVKNKDH-UHFFFAOYSA-N
XLogP1.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenylpyrazole?
The IUPAC name of 4-methoxy-1-phenylpyrazole (CID 18622361) is 4-methoxy-1-phenylpyrazole.
What is the SMILES notation for 4-methoxy-1-phenylpyrazole?
The canonical SMILES for 4-methoxy-1-phenylpyrazole is COc1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-methoxy-1-phenylpyrazole?
The InChIKey is YJNLFEKRVKNKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-13-10-7-11-12(8-10)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 4-methoxy-1-phenylpyrazole?
4-methoxy-1-phenylpyrazole has a molecular weight of 174.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-phenylpyrazole is sourced from PubChem (CID 18622361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).