4-(4-methoxyphenyl)-1H-pyrazole

C10H10N2O — CID 3596751

IUPAC4-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C10H10N2O/c1-13-10-4-2-8(3-5-10)9-6-11-12-7-9/h2-7H,1H3,(H,11,12)
InChIKeyULHLFXBETPFBLH-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.09
Rot. Bonds2

About 4-(4-methoxyphenyl)-1H-pyrazole

4-(4-methoxyphenyl)-1H-pyrazole (PubChem CID 3596751) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1H-pyrazole
PubChem CID3596751
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name4-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C10H10N2O/c1-13-10-4-2-8(3-5-10)9-6-11-12-7-9/h2-7H,1H3,(H,11,12)
InChIKeyULHLFXBETPFBLH-UHFFFAOYSA-N
XLogP2.09
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 4-(4-methoxyphenyl)-1H-pyrazole (CID 3596751) is 4-(4-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 4-(4-methoxyphenyl)-1H-pyrazole is COc1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1H-pyrazole?
The InChIKey is ULHLFXBETPFBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-13-10-4-2-8(3-5-10)9-6-11-12-7-9/h2-7H,1H3,(H,11,12).
What are the key properties of 4-(4-methoxyphenyl)-1H-pyrazole?
4-(4-methoxyphenyl)-1H-pyrazole has a molecular weight of 174.20 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 3596751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).