5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one

C9H12N4OS — CID 112671694

IUPAC5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one
SMILESCCc1nn(C)cc1C1NC(=S)NC1=O
InChIInChI=1S/C9H12N4OS/c1-3-6-5(4-13(2)12-6)7-8(14)11-9(15)10-7/h4,7H,3H2,1-2H3,(H2,10,11,14,15)
InChIKeyLNVVYQSZIAZNCU-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.03
Rot. Bonds2

About 5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one

5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 112671694) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one
PubChem CID112671694
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one
SMILESCCc1nn(C)cc1C1NC(=S)NC1=O
InChIInChI=1S/C9H12N4OS/c1-3-6-5(4-13(2)12-6)7-8(14)11-9(15)10-7/h4,7H,3H2,1-2H3,(H2,10,11,14,15)
InChIKeyLNVVYQSZIAZNCU-UHFFFAOYSA-N
XLogP0.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione
CID 112671523
2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpyrrolidin-3-amine
CID 112671279
2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazinane-4-carboxylic acid
CID 112669889
4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole
CID 112671681
6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 107464990
[1-(aminomethyl)-2-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 112671144
(2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one
CID 97157268
N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103894268
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione
CID 112668716
1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione
CID 107465007
4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 112671274
1-(cyclopropylmethyl)-5-(3-ethyl-1-methylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 112671651

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one (CID 112671694) is 5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one is CCc1nn(C)cc1C1NC(=S)NC1=O.
What is the InChIKey of 5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is LNVVYQSZIAZNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-3-6-5(4-13(2)12-6)7-8(14)11-9(15)10-7/h4,7H,3H2,1-2H3,(H2,10,11,14,15).
What are the key properties of 5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one?
5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 224.29 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 112671694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).