N-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline

C16H21N3 — CID 64501492

IUPACN-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline
SMILESCCC1CCC(Nc2ccccc2-n2cccn2)C1
InChIInChI=1S/C16H21N3/c1-2-13-8-9-14(12-13)18-15-6-3-4-7-16(15)19-11-5-10-17-19/h3-7,10-11,13-14,18H,2,8-9,12H2,1H3
InChIKeyJCBCPFICPIJUFG-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.86
Rot. Bonds4

About N-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline

N-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline (PubChem CID 64501492) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline
PubChem CID64501492
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline
SMILESCCC1CCC(Nc2ccccc2-n2cccn2)C1
InChIInChI=1S/C16H21N3/c1-2-13-8-9-14(12-13)18-15-6-3-4-7-16(15)19-11-5-10-17-19/h3-7,10-11,13-14,18H,2,8-9,12H2,1H3
InChIKeyJCBCPFICPIJUFG-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline?
The IUPAC name of N-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline (CID 64501492) is N-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline?
The canonical SMILES for N-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline is CCC1CCC(Nc2ccccc2-n2cccn2)C1.
What is the InChIKey of N-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline?
The InChIKey is JCBCPFICPIJUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-13-8-9-14(12-13)18-15-6-3-4-7-16(15)19-11-5-10-17-19/h3-7,10-11,13-14,18H,2,8-9,12H2,1H3.
What are the key properties of N-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline?
N-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline has a molecular weight of 255.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline is sourced from PubChem (CID 64501492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).