1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine

C12H15N3O2 — CID 62137352

IUPAC1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine
SMILESCOc1ccc(OCCn2cc(N)cn2)cc1
InChIInChI=1S/C12H15N3O2/c1-16-11-2-4-12(5-3-11)17-7-6-15-9-10(13)8-14-15/h2-5,8-9H,6-7,13H2,1H3
InChIKeyGDJARWBKSAHVGZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.55
Rot. Bonds5

About 1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine

1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine (PubChem CID 62137352) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine
PubChem CID62137352
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine
SMILESCOc1ccc(OCCn2cc(N)cn2)cc1
InChIInChI=1S/C12H15N3O2/c1-16-11-2-4-12(5-3-11)17-7-6-15-9-10(13)8-14-15/h2-5,8-9H,6-7,13H2,1H3
InChIKeyGDJARWBKSAHVGZ-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine
CID 62138455
1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine
CID 50999569
1-(2-ethoxyethyl)pyrazol-4-amine
CID 43457185
1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine
CID 62136821
ethyl 1-[2-(4-aminophenoxy)ethyl]pyrazole-4-carboxylate
CID 81498880
ethane;1-(3-methoxypropyl)pyrazol-4-amine
CID 178006933
1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine
CID 62139197
1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine
CID 62138648
1-[2-(2-methylpropoxy)ethyl]pyrazol-4-amine
CID 62138272
2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine
CID 60874221
(4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61285978
1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine
CID 142144905

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine (CID 62137352) is 1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine is COc1ccc(OCCn2cc(N)cn2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine?
The InChIKey is GDJARWBKSAHVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-11-2-4-12(5-3-11)17-7-6-15-9-10(13)8-14-15/h2-5,8-9H,6-7,13H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine?
1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine has a molecular weight of 233.27 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62137352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).