(1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine

C13H17N3O — CID 165116008

IUPAC(1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine
SMILESCOc1ccc(-c2cnn(C)c2)cc1[C@@H](C)N
InChIInChI=1S/C13H17N3O/c1-9(14)12-6-10(4-5-13(12)17-3)11-7-15-16(2)8-11/h4-9H,14H2,1-3H3/t9-/m1/s1
InChIKeyJQDAOXQEPVODJN-SECBINFHSA-N
MW231.30 g/mol
LogP2.12
Rot. Bonds3

About (1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine

(1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine (PubChem CID 165116008) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine
PubChem CID165116008
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine
SMILESCOc1ccc(-c2cnn(C)c2)cc1[C@@H](C)N
InChIInChI=1S/C13H17N3O/c1-9(14)12-6-10(4-5-13(12)17-3)11-7-15-16(2)8-11/h4-9H,14H2,1-3H3/t9-/m1/s1
InChIKeyJQDAOXQEPVODJN-SECBINFHSA-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 (1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine (CID 165116008) is (1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine is COc1ccc(-c2cnn(C)c2)cc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine?
The InChIKey is JQDAOXQEPVODJN-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(14)12-6-10(4-5-13(12)17-3)11-7-15-16(2)8-11/h4-9H,14H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine?
(1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]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 (1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 165116008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).