1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone

C11H17N3O — CID 65360423

IUPAC1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone
SMILESCn1ncc(C(=O)CC2CCCC2)c1N
InChIInChI=1S/C11H17N3O/c1-14-11(12)9(7-13-14)10(15)6-8-4-2-3-5-8/h7-8H,2-6,12H2,1H3
InChIKeyXKIZDNLNMPJYPY-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.77
Rot. Bonds3

About 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone

1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone (PubChem CID 65360423) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone.

Molecular Properties

Compound Name1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone
PubChem CID65360423
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone
SMILESCn1ncc(C(=O)CC2CCCC2)c1N
InChIInChI=1S/C11H17N3O/c1-14-11(12)9(7-13-14)10(15)6-8-4-2-3-5-8/h7-8H,2-6,12H2,1H3
InChIKeyXKIZDNLNMPJYPY-UHFFFAOYSA-N
XLogP1.77
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone?
The IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone (CID 65360423) is 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone.
What is the SMILES notation for 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone?
The canonical SMILES for 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone is Cn1ncc(C(=O)CC2CCCC2)c1N.
What is the InChIKey of 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone?
The InChIKey is XKIZDNLNMPJYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-11(12)9(7-13-14)10(15)6-8-4-2-3-5-8/h7-8H,2-6,12H2,1H3.
What are the key properties of 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone?
1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone has a molecular weight of 207.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone is sourced from PubChem (CID 65360423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).