N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine

C16H21N3 — CID 50970986

IUPACN-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine
SMILESCC(NC1CCCC1)c1ccccc1-n1cccn1
InChIInChI=1S/C16H21N3/c1-13(18-14-7-2-3-8-14)15-9-4-5-10-16(15)19-12-6-11-17-19/h4-6,9-14,18H,2-3,7-8H2,1H3
InChIKeyPGROJINUYKSJHV-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.47
Rot. Bonds4

About N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine

N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine (PubChem CID 50970986) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine
PubChem CID50970986
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine
SMILESCC(NC1CCCC1)c1ccccc1-n1cccn1
InChIInChI=1S/C16H21N3/c1-13(18-14-7-2-3-8-14)15-9-4-5-10-16(15)19-12-6-11-17-19/h4-6,9-14,18H,2-3,7-8H2,1H3
InChIKeyPGROJINUYKSJHV-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine?
The IUPAC name of N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine (CID 50970986) is N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine?
The canonical SMILES for N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine is CC(NC1CCCC1)c1ccccc1-n1cccn1.
What is the InChIKey of N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine?
The InChIKey is PGROJINUYKSJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(18-14-7-2-3-8-14)15-9-4-5-10-16(15)19-12-6-11-17-19/h4-6,9-14,18H,2-3,7-8H2,1H3.
What are the key properties of N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine?
N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine has a molecular weight of 255.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine is sourced from PubChem (CID 50970986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).