1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine

C13H17N3O2 — CID 117217960

IUPAC1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine
SMILESCCn1ncc(N)c1COc1cccc(OC)c1
InChIInChI=1S/C13H17N3O2/c1-3-16-13(12(14)8-15-16)9-18-11-6-4-5-10(7-11)17-2/h4-8H,3,9,14H2,1-2H3
InChIKeyIVNWQJCEJITMRD-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.07
Rot. Bonds5

About 1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine

1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine (PubChem CID 117217960) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine
PubChem CID117217960
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine
SMILESCCn1ncc(N)c1COc1cccc(OC)c1
InChIInChI=1S/C13H17N3O2/c1-3-16-13(12(14)8-15-16)9-18-11-6-4-5-10(7-11)17-2/h4-8H,3,9,14H2,1-2H3
InChIKeyIVNWQJCEJITMRD-UHFFFAOYSA-N
XLogP2.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine
CID 117193067
1-ethyl-5-[(3-methoxyphenoxy)methyl]triazole-4-carboxylic acid
CID 82207178
5-[(3-bromophenoxy)methyl]-1-methylpyrazol-4-amine
CID 117217778
1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188658
1-ethyl-5-(4-methoxyphenyl)pyrazol-4-amine
CID 105471347
[1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 105489897
1-(chloromethoxy)-3-methoxybenzene
CID 59086252
2-chloro-4-[(3-methoxyphenoxy)methyl]aniline
CID 117220355
5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline
CID 64769606
1-ethyl-5-[(3-methoxyphenyl)methoxy]-3-methylpyrazol-4-amine
CID 66012494
2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine
CID 117183684
2-[(3-methoxyphenoxy)methyl]-1,3-oxazole
CID 117186726

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine (CID 117217960) is 1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine is CCn1ncc(N)c1COc1cccc(OC)c1.
What is the InChIKey of 1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine?
The InChIKey is IVNWQJCEJITMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-16-13(12(14)8-15-16)9-18-11-6-4-5-10(7-11)17-2/h4-8H,3,9,14H2,1-2H3.
What are the key properties of 1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine?
1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine has a molecular weight of 247.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine is sourced from PubChem (CID 117217960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).