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

C10H10N2OS — CID 730456

IUPAC(3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone
SMILESCc1cc(C)n(C(=O)c2cccs2)n1
InChIInChI=1S/C10H10N2OS/c1-7-6-8(2)12(11-7)10(13)9-4-3-5-14-9/h3-6H,1-2H3
InChIKeyJAJPDRXLBIESQE-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.25
Rot. Bonds1

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

(3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone (PubChem CID 730456) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone
PubChem CID730456
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name(3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone
SMILESCc1cc(C)n(C(=O)c2cccs2)n1
InChIInChI=1S/C10H10N2OS/c1-7-6-8(2)12(11-7)10(13)9-4-3-5-14-9/h3-6H,1-2H3
InChIKeyJAJPDRXLBIESQE-UHFFFAOYSA-N
XLogP2.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide
CID 653560
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)thiophene-2-carboxamide
CID 658972
(3,5-Dimethylpyrazol-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2942732
N'-{[1-(tert-butyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}thiophene-2-carbohydrazide
CID 2809443
(2E)-1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(thiophen-2-yl)prop-2-en-1-one
CID 5906691
1-[3,5-Dimethyl-1-(thiophene-2-carbonyl)pyrazol-4-yl]ethanone
CID 712603
1-(2-thienyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one
CID 5998314
N-(2,5-dimethylpyrrol-1-yl)thiophene-2-carboxamide
CID 468656
1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(thiophen-2-yl)ethan-1-one
CID 802192
N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}thiophene-2-carboxamide
CID 2225442
Thiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone
CID 2809203

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone (CID 730456) is (3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone is Cc1cc(C)n(C(=O)c2cccs2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone?
The InChIKey is JAJPDRXLBIESQE-UHFFFAOYSA-N. 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.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone?
(3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone has a molecular weight of 206.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 730456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).