2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine

C12H15N3O2 — CID 117229758

IUPAC2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine
SMILESCOc1cccc(-n2cc(OCCN)cn2)c1
InChIInChI=1S/C12H15N3O2/c1-16-11-4-2-3-10(7-11)15-9-12(8-14-15)17-6-5-13/h2-4,7-9H,5-6,13H2,1H3
InChIKeyQENONFHUXIQMRQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.22
Rot. Bonds5

About 2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine

2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine (PubChem CID 117229758) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine
PubChem CID117229758
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine
SMILESCOc1cccc(-n2cc(OCCN)cn2)c1
InChIInChI=1S/C12H15N3O2/c1-16-11-4-2-3-10(7-11)15-9-12(8-14-15)17-6-5-13/h2-4,7-9H,5-6,13H2,1H3
InChIKeyQENONFHUXIQMRQ-UHFFFAOYSA-N
XLogP1.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol
CID 117229757
4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
CID 117229524
[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230396
N-methyl-3-[1-(3-methylphenyl)pyrazol-4-yl]oxypropan-1-amine
CID 117230384
4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole
CID 114798689
2-[3-(tetrazol-1-yl)phenoxy]ethanamine
CID 45157260
1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine
CID 105489793
[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851
1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine
CID 117230345
2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride
CID 164576523
2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine
CID 96687338
4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine
CID 166620627

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine?
The IUPAC name of 2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine (CID 117229758) is 2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine is COc1cccc(-n2cc(OCCN)cn2)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine?
The InChIKey is QENONFHUXIQMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-11-4-2-3-10(7-11)15-9-12(8-14-15)17-6-5-13/h2-4,7-9H,5-6,13H2,1H3.
What are the key properties of 2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine?
2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine has a molecular weight of 233.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine is sourced from PubChem (CID 117229758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).