2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine

C14H25N3O — CID 117124377

IUPAC2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine
SMILESCOc1c(CCN)c(C(C)C)nn1C1CCCC1
InChIInChI=1S/C14H25N3O/c1-10(2)13-12(8-9-15)14(18-3)17(16-13)11-6-4-5-7-11/h10-11H,4-9,15H2,1-3H3
InChIKeyDPHMOCJYHZHVTH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.63
Rot. Bonds5

About 2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine

2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine (PubChem CID 117124377) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine
PubChem CID117124377
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine
SMILESCOc1c(CCN)c(C(C)C)nn1C1CCCC1
InChIInChI=1S/C14H25N3O/c1-10(2)13-12(8-9-15)14(18-3)17(16-13)11-6-4-5-7-11/h10-11H,4-9,15H2,1-3H3
InChIKeyDPHMOCJYHZHVTH-UHFFFAOYSA-N
XLogP2.63
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine (CID 117124377) is 2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine is COc1c(CCN)c(C(C)C)nn1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine?
The InChIKey is DPHMOCJYHZHVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)13-12(8-9-15)14(18-3)17(16-13)11-6-4-5-7-11/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine?
2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 117124377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).