1-(5-propyl-1H-pyrazol-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one

C11H17N3OS — CID 168669786

IUPAC1-(5-propyl-1H-pyrazol-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESCCCc1cc(N2CC(CS)CC2=O)n[nH]1
InChIInChI=1S/C11H17N3OS/c1-2-3-9-5-10(13-12-9)14-6-8(7-16)4-11(14)15/h5,8,16H,2-4,6-7H2,1H3,(H,12,13)
InChIKeyOCTMCXPYYHSFSG-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.64
Rot. Bonds4

About 1-(5-propyl-1H-pyrazol-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one

1-(5-propyl-1H-pyrazol-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one (PubChem CID 168669786) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(5-propyl-1H-pyrazol-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-propyl-1H-pyrazol-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
PubChem CID168669786
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-(5-propyl-1H-pyrazol-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESCCCc1cc(N2CC(CS)CC2=O)n[nH]1
InChIInChI=1S/C11H17N3OS/c1-2-3-9-5-10(13-12-9)14-6-8(7-16)4-11(14)15/h5,8,16H,2-4,6-7H2,1H3,(H,12,13)
InChIKeyOCTMCXPYYHSFSG-UHFFFAOYSA-N
XLogP1.64
TPSA48.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-1-(5-propyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 168503789
4-(bromomethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 168504725
1-(5-propyl-1,3,4-oxadiazol-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669787
1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663927
4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168509279
4-(hydroxymethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168662640
1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670249
4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168659810
4-(sulfanylmethyl)-1-(2,4,6-trifluorophenyl)pyrrolidin-2-one
CID 168671314
1-(6-chloropyridazin-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671631
1-(5-bromo-6-methyl-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670538
1-(5-iodo-6-methyl-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670541

Frequently Asked Questions

What is the IUPAC name of 1-(5-propyl-1H-pyrazol-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-propyl-1H-pyrazol-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one (CID 168669786) is 1-(5-propyl-1H-pyrazol-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-propyl-1H-pyrazol-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-propyl-1H-pyrazol-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one is CCCc1cc(N2CC(CS)CC2=O)n[nH]1.
What is the InChIKey of 1-(5-propyl-1H-pyrazol-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The InChIKey is OCTMCXPYYHSFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-3-9-5-10(13-12-9)14-6-8(7-16)4-11(14)15/h5,8,16H,2-4,6-7H2,1H3,(H,12,13).
What are the key properties of 1-(5-propyl-1H-pyrazol-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one?
1-(5-propyl-1H-pyrazol-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one has a molecular weight of 239.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propyl-1H-pyrazol-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168669786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).