3-[4-(2-aminophenyl)pyrazol-1-yl]-1-ethylpyrazin-2-one

C15H15N5O — CID 63338040

IUPAC3-[4-(2-aminophenyl)pyrazol-1-yl]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(-n2cc(-c3ccccc3N)cn2)c1=O
InChIInChI=1S/C15H15N5O/c1-2-19-8-7-17-14(15(19)21)20-10-11(9-18-20)12-5-3-4-6-13(12)16/h3-10H,2,16H2,1H3
InChIKeySXHGBIJIDGZLRW-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.70
Rot. Bonds3

About 3-[4-(2-aminophenyl)pyrazol-1-yl]-1-ethylpyrazin-2-one

3-[4-(2-aminophenyl)pyrazol-1-yl]-1-ethylpyrazin-2-one (PubChem CID 63338040) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[4-(2-aminophenyl)pyrazol-1-yl]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(2-aminophenyl)pyrazol-1-yl]-1-ethylpyrazin-2-one
PubChem CID63338040
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-[4-(2-aminophenyl)pyrazol-1-yl]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(-n2cc(-c3ccccc3N)cn2)c1=O
InChIInChI=1S/C15H15N5O/c1-2-19-8-7-17-14(15(19)21)20-10-11(9-18-20)12-5-3-4-6-13(12)16/h3-10H,2,16H2,1H3
InChIKeySXHGBIJIDGZLRW-UHFFFAOYSA-N
XLogP1.70
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminophenyl)pyrazol-1-yl]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[4-(2-aminophenyl)pyrazol-1-yl]-1-ethylpyrazin-2-one (CID 63338040) is 3-[4-(2-aminophenyl)pyrazol-1-yl]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[4-(2-aminophenyl)pyrazol-1-yl]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[4-(2-aminophenyl)pyrazol-1-yl]-1-ethylpyrazin-2-one is CCn1ccnc(-n2cc(-c3ccccc3N)cn2)c1=O.
What is the InChIKey of 3-[4-(2-aminophenyl)pyrazol-1-yl]-1-ethylpyrazin-2-one?
The InChIKey is SXHGBIJIDGZLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-19-8-7-17-14(15(19)21)20-10-11(9-18-20)12-5-3-4-6-13(12)16/h3-10H,2,16H2,1H3.
What are the key properties of 3-[4-(2-aminophenyl)pyrazol-1-yl]-1-ethylpyrazin-2-one?
3-[4-(2-aminophenyl)pyrazol-1-yl]-1-ethylpyrazin-2-one has a molecular weight of 281.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminophenyl)pyrazol-1-yl]-1-ethylpyrazin-2-one is sourced from PubChem (CID 63338040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).