2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine

C13H23N3 — CID 83890277

IUPAC2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1ccnn1C1CCCC1
InChIInChI=1S/C13H23N3/c1-10(2)12(9-14)13-7-8-15-16(13)11-5-3-4-6-11/h7-8,10-12H,3-6,9,14H2,1-2H3
InChIKeyXCYPPOIQTHIMFJ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.70
Rot. Bonds4

About 2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine

2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine (PubChem CID 83890277) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
PubChem CID83890277
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1ccnn1C1CCCC1
InChIInChI=1S/C13H23N3/c1-10(2)12(9-14)13-7-8-15-16(13)11-5-3-4-6-11/h7-8,10-12H,3-6,9,14H2,1-2H3
InChIKeyXCYPPOIQTHIMFJ-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine (CID 83890277) is 2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine is CC(C)C(CN)c1ccnn1C1CCCC1.
What is the InChIKey of 2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine?
The InChIKey is XCYPPOIQTHIMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)12(9-14)13-7-8-15-16(13)11-5-3-4-6-11/h7-8,10-12H,3-6,9,14H2,1-2H3.
What are the key properties of 2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine?
2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 83890277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).