1-ethyl-5-[3-(methoxymethyl)phenoxy]-3-methylpyrazol-4-amine

C14H19N3O2 — CID 66012305

IUPAC1-ethyl-5-[3-(methoxymethyl)phenoxy]-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Oc1cccc(COC)c1
InChIInChI=1S/C14H19N3O2/c1-4-17-14(13(15)10(2)16-17)19-12-7-5-6-11(8-12)9-18-3/h5-8H,4,9,15H2,1-3H3
InChIKeyBRUWUTSQYXQZIA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.73
Rot. Bonds5

About 1-ethyl-5-[3-(methoxymethyl)phenoxy]-3-methylpyrazol-4-amine

1-ethyl-5-[3-(methoxymethyl)phenoxy]-3-methylpyrazol-4-amine (PubChem CID 66012305) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-ethyl-5-[3-(methoxymethyl)phenoxy]-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-5-[3-(methoxymethyl)phenoxy]-3-methylpyrazol-4-amine
PubChem CID66012305
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-ethyl-5-[3-(methoxymethyl)phenoxy]-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Oc1cccc(COC)c1
InChIInChI=1S/C14H19N3O2/c1-4-17-14(13(15)10(2)16-17)19-12-7-5-6-11(8-12)9-18-3/h5-8H,4,9,15H2,1-3H3
InChIKeyBRUWUTSQYXQZIA-UHFFFAOYSA-N
XLogP2.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[3-(methoxymethyl)phenoxy]-3-methylpyrazol-4-amine?
The IUPAC name of 1-ethyl-5-[3-(methoxymethyl)phenoxy]-3-methylpyrazol-4-amine (CID 66012305) is 1-ethyl-5-[3-(methoxymethyl)phenoxy]-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-ethyl-5-[3-(methoxymethyl)phenoxy]-3-methylpyrazol-4-amine?
The canonical SMILES for 1-ethyl-5-[3-(methoxymethyl)phenoxy]-3-methylpyrazol-4-amine is CCn1nc(C)c(N)c1Oc1cccc(COC)c1.
What is the InChIKey of 1-ethyl-5-[3-(methoxymethyl)phenoxy]-3-methylpyrazol-4-amine?
The InChIKey is BRUWUTSQYXQZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-17-14(13(15)10(2)16-17)19-12-7-5-6-11(8-12)9-18-3/h5-8H,4,9,15H2,1-3H3.
What are the key properties of 1-ethyl-5-[3-(methoxymethyl)phenoxy]-3-methylpyrazol-4-amine?
1-ethyl-5-[3-(methoxymethyl)phenoxy]-3-methylpyrazol-4-amine has a molecular weight of 261.32 g/mol, XLogP of 2.73, 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-(methoxymethyl)phenoxy]-3-methylpyrazol-4-amine is sourced from PubChem (CID 66012305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).