5-amino-2-(2-phenylethyl)-3H-pyrazol-4-one

C11H13N3O — CID 23334285

IUPAC5-amino-2-(2-phenylethyl)-3H-pyrazol-4-one
SMILESNC1=NN(CCc2ccccc2)CC1=O
InChIInChI=1S/C11H13N3O/c12-11-10(15)8-14(13-11)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,13)
InChIKeyJZKDUNUWDOJMFZ-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.39
Rot. Bonds3

About 5-amino-2-(2-phenylethyl)-3H-pyrazol-4-one

5-amino-2-(2-phenylethyl)-3H-pyrazol-4-one (PubChem CID 23334285) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-amino-2-(2-phenylethyl)-3H-pyrazol-4-one.

Molecular Properties

Compound Name5-amino-2-(2-phenylethyl)-3H-pyrazol-4-one
PubChem CID23334285
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name5-amino-2-(2-phenylethyl)-3H-pyrazol-4-one
SMILESNC1=NN(CCc2ccccc2)CC1=O
InChIInChI=1S/C11H13N3O/c12-11-10(15)8-14(13-11)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,13)
InChIKeyJZKDUNUWDOJMFZ-UHFFFAOYSA-N
XLogP0.39
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-phenylethyl)-3H-pyrazol-4-one?
The IUPAC name of 5-amino-2-(2-phenylethyl)-3H-pyrazol-4-one (CID 23334285) is 5-amino-2-(2-phenylethyl)-3H-pyrazol-4-one.
What is the SMILES notation for 5-amino-2-(2-phenylethyl)-3H-pyrazol-4-one?
The canonical SMILES for 5-amino-2-(2-phenylethyl)-3H-pyrazol-4-one is NC1=NN(CCc2ccccc2)CC1=O.
What is the InChIKey of 5-amino-2-(2-phenylethyl)-3H-pyrazol-4-one?
The InChIKey is JZKDUNUWDOJMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-11-10(15)8-14(13-11)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,13).
What are the key properties of 5-amino-2-(2-phenylethyl)-3H-pyrazol-4-one?
5-amino-2-(2-phenylethyl)-3H-pyrazol-4-one has a molecular weight of 203.25 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-phenylethyl)-3H-pyrazol-4-one is sourced from PubChem (CID 23334285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).