2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine

C13H23N3 — CID 121213122

IUPAC2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine
SMILESCC(C)c1n[nH]c(C2CCCC2)c1CCN
InChIInChI=1S/C13H23N3/c1-9(2)12-11(7-8-14)13(16-15-12)10-5-3-4-6-10/h9-10H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyYHCPLATYHHRQQK-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.69
Rot. Bonds4

About 2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine

2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine (PubChem CID 121213122) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine
PubChem CID121213122
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine
SMILESCC(C)c1n[nH]c(C2CCCC2)c1CCN
InChIInChI=1S/C13H23N3/c1-9(2)12-11(7-8-14)13(16-15-12)10-5-3-4-6-10/h9-10H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyYHCPLATYHHRQQK-UHFFFAOYSA-N
XLogP2.69
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine?
The IUPAC name of 2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine (CID 121213122) is 2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine is CC(C)c1n[nH]c(C2CCCC2)c1CCN.
What is the InChIKey of 2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine?
The InChIKey is YHCPLATYHHRQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9(2)12-11(7-8-14)13(16-15-12)10-5-3-4-6-10/h9-10H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine?
2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 121213122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).