(1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone

C10H14N2OS — CID 105083220

IUPAC(1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone
SMILESCCn1cc(C(=O)C2CCSC2)cn1
InChIInChI=1S/C10H14N2OS/c1-2-12-6-9(5-11-12)10(13)8-3-4-14-7-8/h5-6,8H,2-4,7H2,1H3
InChIKeyOUAYJVBPLCMLAG-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.84
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone

(1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone (PubChem CID 105083220) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone
PubChem CID105083220
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name(1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone
SMILESCCn1cc(C(=O)C2CCSC2)cn1
InChIInChI=1S/C10H14N2OS/c1-2-12-6-9(5-11-12)10(13)8-3-4-14-7-8/h5-6,8H,2-4,7H2,1H3
InChIKeyOUAYJVBPLCMLAG-UHFFFAOYSA-N
XLogP1.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclooctyl-(1-ethylpyrazol-4-yl)methanone
CID 80602225
(1,1-dioxothiolan-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 115336218
(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methanone
CID 115385636
7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone
CID 116575868
(2-aminocyclopentyl)-(1-ethylpyrazol-4-yl)methanone
CID 116580054
(1-ethylpyrazol-4-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171950694
(2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone
CID 107186691
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
(1-propylpyrazol-4-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171944048
N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide
CID 75523998
[5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone
CID 116589035
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 171950687

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone (CID 105083220) is (1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone is CCn1cc(C(=O)C2CCSC2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone?
The InChIKey is OUAYJVBPLCMLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-12-6-9(5-11-12)10(13)8-3-4-14-7-8/h5-6,8H,2-4,7H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone?
(1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone has a molecular weight of 210.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone is sourced from PubChem (CID 105083220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).