1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine

C11H12ClN3 — CID 117317347

IUPAC1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(-n2nccc2Cl)cc1
InChIInChI=1S/C11H12ClN3/c1-8(13)9-2-4-10(5-3-9)15-11(12)6-7-14-15/h2-8H,13H2,1H3
InChIKeyZMLSDIRQRMDBLY-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.55
Rot. Bonds2

About 1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine

1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine (PubChem CID 117317347) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine
PubChem CID117317347
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(-n2nccc2Cl)cc1
InChIInChI=1S/C11H12ClN3/c1-8(13)9-2-4-10(5-3-9)15-11(12)6-7-14-15/h2-8H,13H2,1H3
InChIKeyZMLSDIRQRMDBLY-UHFFFAOYSA-N
XLogP2.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine (CID 117317347) is 1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine is CC(N)c1ccc(-n2nccc2Cl)cc1.
What is the InChIKey of 1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine?
The InChIKey is ZMLSDIRQRMDBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-8(13)9-2-4-10(5-3-9)15-11(12)6-7-14-15/h2-8H,13H2,1H3.
What are the key properties of 1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine?
1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine has a molecular weight of 221.69 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 117317347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).