1-[5-(4-methoxyphenyl)-1-methylpyrazol-4-yl]ethanamine

C13H17N3O — CID 105489932

IUPAC1-[5-(4-methoxyphenyl)-1-methylpyrazol-4-yl]ethanamine
SMILESCOc1ccc(-c2c(C(C)N)cnn2C)cc1
InChIInChI=1S/C13H17N3O/c1-9(14)12-8-15-16(2)13(12)10-4-6-11(17-3)7-5-10/h4-9H,14H2,1-3H3
InChIKeyFJEYLBPMQZGBLZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.12
Rot. Bonds3

About 1-[5-(4-methoxyphenyl)-1-methylpyrazol-4-yl]ethanamine

1-[5-(4-methoxyphenyl)-1-methylpyrazol-4-yl]ethanamine (PubChem CID 105489932) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1-methylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1-methylpyrazol-4-yl]ethanamine
PubChem CID105489932
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[5-(4-methoxyphenyl)-1-methylpyrazol-4-yl]ethanamine
SMILESCOc1ccc(-c2c(C(C)N)cnn2C)cc1
InChIInChI=1S/C13H17N3O/c1-9(14)12-8-15-16(2)13(12)10-4-6-11(17-3)7-5-10/h4-9H,14H2,1-3H3
InChIKeyFJEYLBPMQZGBLZ-UHFFFAOYSA-N
XLogP2.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1-methylpyrazol-4-yl]ethanamine?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1-methylpyrazol-4-yl]ethanamine (CID 105489932) is 1-[5-(4-methoxyphenyl)-1-methylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1-methylpyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1-methylpyrazol-4-yl]ethanamine is COc1ccc(-c2c(C(C)N)cnn2C)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1-methylpyrazol-4-yl]ethanamine?
The InChIKey is FJEYLBPMQZGBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(14)12-8-15-16(2)13(12)10-4-6-11(17-3)7-5-10/h4-9H,14H2,1-3H3.
What are the key properties of 1-[5-(4-methoxyphenyl)-1-methylpyrazol-4-yl]ethanamine?
1-[5-(4-methoxyphenyl)-1-methylpyrazol-4-yl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1-methylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 105489932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).