2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate

C19H15N2O3- — CID 2341150

IUPAC2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate
SMILESC=c1[nH]n(-c2ccccc2)c(=O)/c1=C\c1ccccc1CC(=O)[O-]
InChIInChI=1S/C19H16N2O3/c1-13-17(11-14-7-5-6-8-15(14)12-18(22)23)19(24)21(20-13)16-9-3-2-4-10-16/h2-11,20H,1,12H2,(H,22,23)/p-1/b17-11-
InChIKeyHXGJGIYZGIZWCC-BOPFTXTBSA-M
MW319.34 g/mol
LogP-0.30
Rot. Bonds4

About 2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate

2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate (PubChem CID 2341150) has the molecular formula C19H15N2O3- and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate.

Molecular Properties

Compound Name2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate
PubChem CID2341150
Molecular FormulaC19H15N2O3-
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate
SMILESC=c1[nH]n(-c2ccccc2)c(=O)/c1=C\c1ccccc1CC(=O)[O-]
InChIInChI=1S/C19H16N2O3/c1-13-17(11-14-7-5-6-8-15(14)12-18(22)23)19(24)21(20-13)16-9-3-2-4-10-16/h2-11,20H,1,12H2,(H,22,23)/p-1/b17-11-
InChIKeyHXGJGIYZGIZWCC-BOPFTXTBSA-M
XLogP-0.30
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate?
The IUPAC name of 2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate (CID 2341150) is 2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate.
What is the SMILES notation for 2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate?
The canonical SMILES for 2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate is C=c1[nH]n(-c2ccccc2)c(=O)/c1=C\c1ccccc1CC(=O)[O-].
What is the InChIKey of 2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate?
The InChIKey is HXGJGIYZGIZWCC-BOPFTXTBSA-M. The full InChI is InChI=1S/C19H16N2O3/c1-13-17(11-14-7-5-6-8-15(14)12-18(22)23)19(24)21(20-13)16-9-3-2-4-10-16/h2-11,20H,1,12H2,(H,22,23)/p-1/b17-11-.
What are the key properties of 2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate?
2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate has a molecular weight of 319.34 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate is sourced from PubChem (CID 2341150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).