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

C13H18ClN3O — CID 165116007

IUPAC(1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine;hydrochloride
SMILESCOc1ccc(-c2cnn(C)c2)cc1[C@@H](C)N.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-9(14)12-6-10(4-5-13(12)17-3)11-7-15-16(2)8-11;/h4-9H,14H2,1-3H3;1H/t9-;/m1./s1
InChIKeySEORPRVESDBTHG-SBSPUUFOSA-N
MW267.76 g/mol
LogP2.54
Rot. Bonds3

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

(1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine;hydrochloride (PubChem CID 165116007) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine;hydrochloride
PubChem CID165116007
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine;hydrochloride
SMILESCOc1ccc(-c2cnn(C)c2)cc1[C@@H](C)N.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-9(14)12-6-10(4-5-13(12)17-3)11-7-15-16(2)8-11;/h4-9H,14H2,1-3H3;1H/t9-;/m1./s1
InChIKeySEORPRVESDBTHG-SBSPUUFOSA-N
XLogP2.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.54
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;hydrochloride?
The IUPAC name of (1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine;hydrochloride (CID 165116007) is (1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine;hydrochloride is COc1ccc(-c2cnn(C)c2)cc1[C@@H](C)N.Cl.
What is the InChIKey of (1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine;hydrochloride?
The InChIKey is SEORPRVESDBTHG-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H17N3O.ClH/c1-9(14)12-6-10(4-5-13(12)17-3)11-7-15-16(2)8-11;/h4-9H,14H2,1-3H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine;hydrochloride?
(1R)-1-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethanamine;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.54, 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;hydrochloride is sourced from PubChem (CID 165116007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).