(1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine

C14H19N3 — CID 78937591

IUPAC(1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine
SMILESCc1nn(-c2ccc([C@@H](C)N)cc2)c(C)c1C
InChIInChI=1S/C14H19N3/c1-9-11(3)16-17(12(9)4)14-7-5-13(6-8-14)10(2)15/h5-8,10H,15H2,1-4H3/t10-/m1/s1
InChIKeyFZANWPQBZVDXCP-SNVBAGLBSA-N
MW229.33 g/mol
LogP2.82
Rot. Bonds2

About (1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine

(1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine (PubChem CID 78937591) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine
PubChem CID78937591
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine
SMILESCc1nn(-c2ccc([C@@H](C)N)cc2)c(C)c1C
InChIInChI=1S/C14H19N3/c1-9-11(3)16-17(12(9)4)14-7-5-13(6-8-14)10(2)15/h5-8,10H,15H2,1-4H3/t10-/m1/s1
InChIKeyFZANWPQBZVDXCP-SNVBAGLBSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine (CID 78937591) is (1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine is Cc1nn(-c2ccc([C@@H](C)N)cc2)c(C)c1C.
What is the InChIKey of (1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine?
The InChIKey is FZANWPQBZVDXCP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3/c1-9-11(3)16-17(12(9)4)14-7-5-13(6-8-14)10(2)15/h5-8,10H,15H2,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine?
(1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 78937591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).