1-benzyl-4-(2-methoxyphenoxy)pyrazole

C17H16N2O2 — CID 117234112

IUPAC1-benzyl-4-(2-methoxyphenoxy)pyrazole
SMILESCOc1ccccc1Oc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H16N2O2/c1-20-16-9-5-6-10-17(16)21-15-11-18-19(13-15)12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3
InChIKeyVHIORLKSBOKTPK-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.73
Rot. Bonds5

About 1-benzyl-4-(2-methoxyphenoxy)pyrazole

1-benzyl-4-(2-methoxyphenoxy)pyrazole (PubChem CID 117234112) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-benzyl-4-(2-methoxyphenoxy)pyrazole.

Molecular Properties

Compound Name1-benzyl-4-(2-methoxyphenoxy)pyrazole
PubChem CID117234112
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-benzyl-4-(2-methoxyphenoxy)pyrazole
SMILESCOc1ccccc1Oc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H16N2O2/c1-20-16-9-5-6-10-17(16)21-15-11-18-19(13-15)12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3
InChIKeyVHIORLKSBOKTPK-UHFFFAOYSA-N
XLogP3.73
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(2-fluorophenoxy)pyrazole
CID 117234109
1-benzyl-4-thiophen-2-yloxypyrazole
CID 117233985
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
1-(4-fluorophenyl)-4-(2-methoxyphenoxy)pyrazole
CID 117229286
3-[(4-methoxypyrazol-1-yl)methyl]aniline
CID 138319963
4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline
CID 11624384
2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol
CID 117234046
2-(1-butylpyrazol-4-yl)oxyaniline
CID 166174631
2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid
CID 115038747
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 8979050
(1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 104893552
N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 78879011

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-methoxyphenoxy)pyrazole?
The IUPAC name of 1-benzyl-4-(2-methoxyphenoxy)pyrazole (CID 117234112) is 1-benzyl-4-(2-methoxyphenoxy)pyrazole.
What is the SMILES notation for 1-benzyl-4-(2-methoxyphenoxy)pyrazole?
The canonical SMILES for 1-benzyl-4-(2-methoxyphenoxy)pyrazole is COc1ccccc1Oc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-4-(2-methoxyphenoxy)pyrazole?
The InChIKey is VHIORLKSBOKTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-16-9-5-6-10-17(16)21-15-11-18-19(13-15)12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3.
What are the key properties of 1-benzyl-4-(2-methoxyphenoxy)pyrazole?
1-benzyl-4-(2-methoxyphenoxy)pyrazole has a molecular weight of 280.33 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-methoxyphenoxy)pyrazole is sourced from PubChem (CID 117234112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).