2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine

C11H12ClN3 — CID 50896468

IUPAC2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine
SMILESNCCn1ccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H12ClN3/c12-10-3-1-9(2-4-10)11-5-7-15(14-11)8-6-13/h1-5,7H,6,8,13H2
InChIKeyBPEJZDGHJVPDDO-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.16
Rot. Bonds3

About 2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine

2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine (PubChem CID 50896468) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine
PubChem CID50896468
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine
SMILESNCCn1ccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H12ClN3/c12-10-3-1-9(2-4-10)11-5-7-15(14-11)8-6-13/h1-5,7H,6,8,13H2
InChIKeyBPEJZDGHJVPDDO-UHFFFAOYSA-N
XLogP2.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine (CID 50896468) is 2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine is NCCn1ccc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine?
The InChIKey is BPEJZDGHJVPDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-10-3-1-9(2-4-10)11-5-7-15(14-11)8-6-13/h1-5,7H,6,8,13H2.
What are the key properties of 2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine?
2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine has a molecular weight of 221.69 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 50896468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).