2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine

C17H16ClN3 — CID 83986388

IUPAC2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
SMILESNCC(c1ccc(Cl)cc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H16ClN3/c18-14-8-6-12(7-9-14)15(11-19)17-10-16(20-21-17)13-4-2-1-3-5-13/h1-10,15H,11,19H2,(H,20,21)
InChIKeyANSCVWZXDIJAOY-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.82
Rot. Bonds4

About 2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine

2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine (PubChem CID 83986388) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
PubChem CID83986388
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
SMILESNCC(c1ccc(Cl)cc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H16ClN3/c18-14-8-6-12(7-9-14)15(11-19)17-10-16(20-21-17)13-4-2-1-3-5-13/h1-10,15H,11,19H2,(H,20,21)
InChIKeyANSCVWZXDIJAOY-UHFFFAOYSA-N
XLogP3.82
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine (CID 83986388) is 2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine is NCC(c1ccc(Cl)cc1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The InChIKey is ANSCVWZXDIJAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-14-8-6-12(7-9-14)15(11-19)17-10-16(20-21-17)13-4-2-1-3-5-13/h1-10,15H,11,19H2,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine has a molecular weight of 297.79 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 83986388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).