1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one

C14H14N2OS — CID 14840379

IUPAC1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one
SMILESO=C1NN(c2ccccc2)CC1Cc1cccs1
InChIInChI=1S/C14H14N2OS/c17-14-11(9-13-7-4-8-18-13)10-16(15-14)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,15,17)
InChIKeyCHPXCBUSISLBJN-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.46
Rot. Bonds3

About 1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one

1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one (PubChem CID 14840379) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one
PubChem CID14840379
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one
SMILESO=C1NN(c2ccccc2)CC1Cc1cccs1
InChIInChI=1S/C14H14N2OS/c17-14-11(9-13-7-4-8-18-13)10-16(15-14)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,15,17)
InChIKeyCHPXCBUSISLBJN-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one
CID 159587587
4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one
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4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one
CID 14840376
4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one
CID 23393107
4-methyl-1-phenylpyrazolidin-3-one
CID 158996523
(4R)-4-methyl-1-phenylpyrazolidin-3-one
CID 685628
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CID 163578199
3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
CID 2803153
2-(thiiran-2-ylmethyl)thiophene
CID 174452865
3-(thiophen-2-ylmethyl)azetidine;hydrochloride
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1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one?
The IUPAC name of 1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one (CID 14840379) is 1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one.
What is the SMILES notation for 1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one?
The canonical SMILES for 1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one is O=C1NN(c2ccccc2)CC1Cc1cccs1.
What is the InChIKey of 1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one?
The InChIKey is CHPXCBUSISLBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c17-14-11(9-13-7-4-8-18-13)10-16(15-14)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,15,17).
What are the key properties of 1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one?
1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one has a molecular weight of 258.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one is sourced from PubChem (CID 14840379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).