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

C13H17N3O2 — CID 62138455

IUPAC1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine
SMILESCCOc1ccc(OCCn2cc(N)cn2)cc1
InChIInChI=1S/C13H17N3O2/c1-2-17-12-3-5-13(6-4-12)18-8-7-16-10-11(14)9-15-16/h3-6,9-10H,2,7-8,14H2,1H3
InChIKeyVDJZDOJZYKYLQJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.94
Rot. Bonds6

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

1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine (PubChem CID 62138455) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine
PubChem CID62138455
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine
SMILESCCOc1ccc(OCCn2cc(N)cn2)cc1
InChIInChI=1S/C13H17N3O2/c1-2-17-12-3-5-13(6-4-12)18-8-7-16-10-11(14)9-15-16/h3-6,9-10H,2,7-8,14H2,1H3
InChIKeyVDJZDOJZYKYLQJ-UHFFFAOYSA-N
XLogP1.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine
CID 62137352
1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine
CID 50999569
1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
CID 82285149
1-(2-ethoxyethyl)pyrazol-4-amine
CID 43457185
ethyl 1-[2-(4-aminophenoxy)ethyl]pyrazole-4-carboxylate
CID 81498880
2-(4-aminopyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 43445275
1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine
CID 62136821
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-cyclopropyloxyethyl)pyrazol-4-amine
CID 165480106
1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine
CID 62137713
1-[1-[2-(4-bromophenoxy)ethyl]pyrazol-4-yl]propan-1-one
CID 62728210

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine (CID 62138455) is 1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine is CCOc1ccc(OCCn2cc(N)cn2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine?
The InChIKey is VDJZDOJZYKYLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-17-12-3-5-13(6-4-12)18-8-7-16-10-11(14)9-15-16/h3-6,9-10H,2,7-8,14H2,1H3.
What are the key properties of 1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine?
1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62138455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).