1-(3-methoxyphenyl)pyrazole

C10H10N2O — CID 24888466

IUPAC1-(3-methoxyphenyl)pyrazole
SMILESCOc1cccc(-n2cccn2)c1
InChIInChI=1S/C10H10N2O/c1-13-10-5-2-4-9(8-10)12-7-3-6-11-12/h2-8H,1H3
InChIKeyZRJXNTPMSNGZAW-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.88
Rot. Bonds2

About 1-(3-methoxyphenyl)pyrazole

1-(3-methoxyphenyl)pyrazole (PubChem CID 24888466) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-(3-methoxyphenyl)pyrazole
PubChem CID24888466
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-(3-methoxyphenyl)pyrazole
SMILESCOc1cccc(-n2cccn2)c1
InChIInChI=1S/C10H10N2O/c1-13-10-5-2-4-9(8-10)12-7-3-6-11-12/h2-8H,1H3
InChIKeyZRJXNTPMSNGZAW-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 1-(3-methoxyphenyl)pyrazole?
The IUPAC name of 1-(3-methoxyphenyl)pyrazole (CID 24888466) is 1-(3-methoxyphenyl)pyrazole.
What is the SMILES notation for 1-(3-methoxyphenyl)pyrazole?
The canonical SMILES for 1-(3-methoxyphenyl)pyrazole is COc1cccc(-n2cccn2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)pyrazole?
The InChIKey is ZRJXNTPMSNGZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-13-10-5-2-4-9(8-10)12-7-3-6-11-12/h2-8H,1H3.
What are the key properties of 1-(3-methoxyphenyl)pyrazole?
1-(3-methoxyphenyl)pyrazole 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 1-(3-methoxyphenyl)pyrazole is sourced from PubChem (CID 24888466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).