5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole

C10H12N2O — CID 3031281

IUPAC5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole
SMILESCOc1ccccc1C1CC=NN1
InChIInChI=1S/C10H12N2O/c1-13-10-5-3-2-4-8(10)9-6-7-11-12-9/h2-5,7,9,12H,6H2,1H3
InChIKeyWMELTQWIPRJNNI-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.72
Rot. Bonds2

About 5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole

5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 3031281) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole
PubChem CID3031281
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole
SMILESCOc1ccccc1C1CC=NN1
InChIInChI=1S/C10H12N2O/c1-13-10-5-3-2-4-8(10)9-6-7-11-12-9/h2-5,7,9,12H,6H2,1H3
InChIKeyWMELTQWIPRJNNI-UHFFFAOYSA-N
XLogP1.72
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole (CID 3031281) is 5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole is COc1ccccc1C1CC=NN1.
What is the InChIKey of 5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is WMELTQWIPRJNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-13-10-5-3-2-4-8(10)9-6-7-11-12-9/h2-5,7,9,12H,6H2,1H3.
What are the key properties of 5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 176.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 3031281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).