5-(3-butan-2-yloxy-2-methoxyphenyl)-1H-pyrazole

C14H18N2O2 — CID 67486907

IUPAC5-(3-butan-2-yloxy-2-methoxyphenyl)-1H-pyrazole
SMILESCCC(C)Oc1cccc(-c2ccn[nH]2)c1OC
InChIInChI=1S/C14H18N2O2/c1-4-10(2)18-13-7-5-6-11(14(13)17-3)12-8-9-15-16-12/h5-10H,4H2,1-3H3,(H,15,16)
InChIKeyWLPUEROOKIBAKG-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.26
Rot. Bonds5

About 5-(3-butan-2-yloxy-2-methoxyphenyl)-1H-pyrazole

5-(3-butan-2-yloxy-2-methoxyphenyl)-1H-pyrazole (PubChem CID 67486907) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(3-butan-2-yloxy-2-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3-butan-2-yloxy-2-methoxyphenyl)-1H-pyrazole
PubChem CID67486907
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-(3-butan-2-yloxy-2-methoxyphenyl)-1H-pyrazole
SMILESCCC(C)Oc1cccc(-c2ccn[nH]2)c1OC
InChIInChI=1S/C14H18N2O2/c1-4-10(2)18-13-7-5-6-11(14(13)17-3)12-8-9-15-16-12/h5-10H,4H2,1-3H3,(H,15,16)
InChIKeyWLPUEROOKIBAKG-UHFFFAOYSA-N
XLogP3.26
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-butan-2-yloxy-2-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(3-butan-2-yloxy-2-methoxyphenyl)-1H-pyrazole (CID 67486907) is 5-(3-butan-2-yloxy-2-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(3-butan-2-yloxy-2-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(3-butan-2-yloxy-2-methoxyphenyl)-1H-pyrazole is CCC(C)Oc1cccc(-c2ccn[nH]2)c1OC.
What is the InChIKey of 5-(3-butan-2-yloxy-2-methoxyphenyl)-1H-pyrazole?
The InChIKey is WLPUEROOKIBAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-10(2)18-13-7-5-6-11(14(13)17-3)12-8-9-15-16-12/h5-10H,4H2,1-3H3,(H,15,16).
What are the key properties of 5-(3-butan-2-yloxy-2-methoxyphenyl)-1H-pyrazole?
5-(3-butan-2-yloxy-2-methoxyphenyl)-1H-pyrazole has a molecular weight of 246.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butan-2-yloxy-2-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 67486907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).