1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine

C13H23N3 — CID 105478345

IUPAC1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine
SMILESCCn1ncc(CC(C)N)c1C1CCCC1
InChIInChI=1S/C13H23N3/c1-3-16-13(11-6-4-5-7-11)12(9-15-16)8-10(2)14/h9-11H,3-8,14H2,1-2H3
InChIKeyWKPOMOLTLONBDX-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.45
Rot. Bonds4

About 1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine

1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine (PubChem CID 105478345) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine
PubChem CID105478345
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine
SMILESCCn1ncc(CC(C)N)c1C1CCCC1
InChIInChI=1S/C13H23N3/c1-3-16-13(11-6-4-5-7-11)12(9-15-16)8-10(2)14/h9-11H,3-8,14H2,1-2H3
InChIKeyWKPOMOLTLONBDX-UHFFFAOYSA-N
XLogP2.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine (CID 105478345) is 1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine is CCn1ncc(CC(C)N)c1C1CCCC1.
What is the InChIKey of 1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine?
The InChIKey is WKPOMOLTLONBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-16-13(11-6-4-5-7-11)12(9-15-16)8-10(2)14/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine?
1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 105478345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).