(1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine

C12H15N3 — CID 63369256

IUPAC(1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine
SMILESCc1ccn(-c2ccc([C@H](C)N)cc2)n1
InChIInChI=1S/C12H15N3/c1-9-7-8-15(14-9)12-5-3-11(4-6-12)10(2)13/h3-8,10H,13H2,1-2H3/t10-/m0/s1
InChIKeyGWHBTWBWKMKSNF-JTQLQIEISA-N
MW201.27 g/mol
LogP2.20
Rot. Bonds2

About (1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine

(1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine (PubChem CID 63369256) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine
PubChem CID63369256
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name(1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine
SMILESCc1ccn(-c2ccc([C@H](C)N)cc2)n1
InChIInChI=1S/C12H15N3/c1-9-7-8-15(14-9)12-5-3-11(4-6-12)10(2)13/h3-8,10H,13H2,1-2H3/t10-/m0/s1
InChIKeyGWHBTWBWKMKSNF-JTQLQIEISA-N
XLogP2.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine (CID 63369256) is (1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine is Cc1ccn(-c2ccc([C@H](C)N)cc2)n1.
What is the InChIKey of (1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine?
The InChIKey is GWHBTWBWKMKSNF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N3/c1-9-7-8-15(14-9)12-5-3-11(4-6-12)10(2)13/h3-8,10H,13H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine?
(1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine has a molecular weight of 201.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63369256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).