(3,5-dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone

C10H11N2OS+ — CID 135080270

IUPAC(3,5-dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone
SMILESCc1cc(C)n(C(=O)c2cccs2)[nH+]1
InChIInChI=1S/C10H10N2OS/c1-7-6-8(2)12(11-7)10(13)9-4-3-5-14-9/h3-6H,1-2H3/p+1
InChIKeyJAJPDRXLBIESQE-UHFFFAOYSA-O
MW207.28 g/mol
LogP1.67
Rot. Bonds1

About (3,5-dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone

(3,5-dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone (PubChem CID 135080270) has the molecular formula C10H11N2OS+ and a molecular weight of 207.28 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone
PubChem CID135080270
Molecular FormulaC10H11N2OS+
Molecular Weight207.28 g/mol
Exact Mass207.06
IUPAC Name(3,5-dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone
SMILESCc1cc(C)n(C(=O)c2cccs2)[nH+]1
InChIInChI=1S/C10H10N2OS/c1-7-6-8(2)12(11-7)10(13)9-4-3-5-14-9/h3-6H,1-2H3/p+1
InChIKeyJAJPDRXLBIESQE-UHFFFAOYSA-O
XLogP1.67
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3,5-dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone (CID 135080270) is (3,5-dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3,5-dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3,5-dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone is Cc1cc(C)n(C(=O)c2cccs2)[nH+]1.
What is the InChIKey of (3,5-dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone?
The InChIKey is JAJPDRXLBIESQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10N2OS/c1-7-6-8(2)12(11-7)10(13)9-4-3-5-14-9/h3-6H,1-2H3/p+1.
What are the key properties of (3,5-dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone?
(3,5-dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone has a molecular weight of 207.28 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 135080270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).