2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine

C15H19N3 — CID 65480559

IUPAC2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine
SMILESNCCC1(Cn2cc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C15H19N3/c16-9-8-15(6-7-15)12-18-11-14(10-17-18)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12,16H2
InChIKeyWFAPDZGYBAYHGE-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.68
Rot. Bonds5

About 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine

2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine (PubChem CID 65480559) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine
PubChem CID65480559
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine
SMILESNCCC1(Cn2cc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C15H19N3/c16-9-8-15(6-7-15)12-18-11-14(10-17-18)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12,16H2
InChIKeyWFAPDZGYBAYHGE-UHFFFAOYSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine (CID 65480559) is 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine is NCCC1(Cn2cc(-c3ccccc3)cn2)CC1.
What is the InChIKey of 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine?
The InChIKey is WFAPDZGYBAYHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-9-8-15(6-7-15)12-18-11-14(10-17-18)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12,16H2.
What are the key properties of 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine?
2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine has a molecular weight of 241.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65480559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).