3-(2-pyrazol-1-ylethylamino)cyclopent-2-en-1-one

C10H13N3O — CID 104788367

IUPAC3-(2-pyrazol-1-ylethylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCCn2cccn2)CC1
InChIInChI=1S/C10H13N3O/c14-10-3-2-9(8-10)11-5-7-13-6-1-4-12-13/h1,4,6,8,11H,2-3,5,7H2
InChIKeyHSTRGQZQNWFWFM-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.72
Rot. Bonds4

About 3-(2-pyrazol-1-ylethylamino)cyclopent-2-en-1-one

3-(2-pyrazol-1-ylethylamino)cyclopent-2-en-1-one (PubChem CID 104788367) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(2-pyrazol-1-ylethylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(2-pyrazol-1-ylethylamino)cyclopent-2-en-1-one
PubChem CID104788367
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-(2-pyrazol-1-ylethylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCCn2cccn2)CC1
InChIInChI=1S/C10H13N3O/c14-10-3-2-9(8-10)11-5-7-13-6-1-4-12-13/h1,4,6,8,11H,2-3,5,7H2
InChIKeyHSTRGQZQNWFWFM-UHFFFAOYSA-N
XLogP0.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrazol-1-ylethylamino)cyclopent-2-en-1-one?
The IUPAC name of 3-(2-pyrazol-1-ylethylamino)cyclopent-2-en-1-one (CID 104788367) is 3-(2-pyrazol-1-ylethylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(2-pyrazol-1-ylethylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-(2-pyrazol-1-ylethylamino)cyclopent-2-en-1-one is O=C1C=C(NCCn2cccn2)CC1.
What is the InChIKey of 3-(2-pyrazol-1-ylethylamino)cyclopent-2-en-1-one?
The InChIKey is HSTRGQZQNWFWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10-3-2-9(8-10)11-5-7-13-6-1-4-12-13/h1,4,6,8,11H,2-3,5,7H2.
What are the key properties of 3-(2-pyrazol-1-ylethylamino)cyclopent-2-en-1-one?
3-(2-pyrazol-1-ylethylamino)cyclopent-2-en-1-one has a molecular weight of 191.23 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrazol-1-ylethylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 104788367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).