2-phenyl-5-prop-1-en-2-yl-4H-pyrazol-3-one

C12H12N2O — CID 13415382

IUPAC2-phenyl-5-prop-1-en-2-yl-4H-pyrazol-3-one
SMILESC=C(C)C1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C12H12N2O/c1-9(2)11-8-12(15)14(13-11)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChIKeyVYOVZICZGUSHSR-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.36
Rot. Bonds2

About 2-phenyl-5-prop-1-en-2-yl-4H-pyrazol-3-one

2-phenyl-5-prop-1-en-2-yl-4H-pyrazol-3-one (PubChem CID 13415382) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-phenyl-5-prop-1-en-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-phenyl-5-prop-1-en-2-yl-4H-pyrazol-3-one
PubChem CID13415382
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-phenyl-5-prop-1-en-2-yl-4H-pyrazol-3-one
SMILESC=C(C)C1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C12H12N2O/c1-9(2)11-8-12(15)14(13-11)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChIKeyVYOVZICZGUSHSR-UHFFFAOYSA-N
XLogP2.36
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-prop-1-en-2-yl-4H-pyrazol-3-one?
The IUPAC name of 2-phenyl-5-prop-1-en-2-yl-4H-pyrazol-3-one (CID 13415382) is 2-phenyl-5-prop-1-en-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 2-phenyl-5-prop-1-en-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 2-phenyl-5-prop-1-en-2-yl-4H-pyrazol-3-one is C=C(C)C1=NN(c2ccccc2)C(=O)C1.
What is the InChIKey of 2-phenyl-5-prop-1-en-2-yl-4H-pyrazol-3-one?
The InChIKey is VYOVZICZGUSHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9(2)11-8-12(15)14(13-11)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3.
What are the key properties of 2-phenyl-5-prop-1-en-2-yl-4H-pyrazol-3-one?
2-phenyl-5-prop-1-en-2-yl-4H-pyrazol-3-one has a molecular weight of 200.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-prop-1-en-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 13415382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).