3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol

C12H15N3O2 — CID 117125332

IUPAC3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol
SMILESCNCCn1cc(Oc2cccc(O)c2)cn1
InChIInChI=1S/C12H15N3O2/c1-13-5-6-15-9-12(8-14-15)17-11-4-2-3-10(16)7-11/h2-4,7-9,13,16H,5-6H2,1H3
InChIKeyVNRHJKWFFYSJTD-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.60
Rot. Bonds5

About 3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol

3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol (PubChem CID 117125332) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol.

Molecular Properties

Compound Name3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol
PubChem CID117125332
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol
SMILESCNCCn1cc(Oc2cccc(O)c2)cn1
InChIInChI=1S/C12H15N3O2/c1-13-5-6-15-9-12(8-14-15)17-11-4-2-3-10(16)7-11/h2-4,7-9,13,16H,5-6H2,1H3
InChIKeyVNRHJKWFFYSJTD-UHFFFAOYSA-N
XLogP1.60
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(aminomethyl)pyrazol-4-yl]oxyphenol
CID 117125233
3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol
CID 117124853
3-(1-tert-butylpyrazol-4-yl)oxyphenol
CID 117229457
2-(4-ethoxypyrazol-1-yl)-N-methylethanamine
CID 117125349
N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801740
3-(5-bromo-1-methylimidazol-2-yl)oxyphenol
CID 117190479
3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid
CID 115055488
2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol
CID 117229367
N-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
CID 116793113
N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine
CID 116802284
3-[2-(methylamino)ethoxy]phenol
CID 83619980
3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol
CID 153483727

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol?
The IUPAC name of 3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol (CID 117125332) is 3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol.
What is the SMILES notation for 3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol?
The canonical SMILES for 3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol is CNCCn1cc(Oc2cccc(O)c2)cn1.
What is the InChIKey of 3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol?
The InChIKey is VNRHJKWFFYSJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-13-5-6-15-9-12(8-14-15)17-11-4-2-3-10(16)7-11/h2-4,7-9,13,16H,5-6H2,1H3.
What are the key properties of 3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol?
3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol has a molecular weight of 233.27 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol is sourced from PubChem (CID 117125332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).