1,5-dimethyl-3-thiophen-2-ylpyrazole

C9H10N2S — CID 59635615

IUPAC1,5-dimethyl-3-thiophen-2-ylpyrazole
SMILESCc1cc(-c2cccs2)nn1C
InChIInChI=1S/C9H10N2S/c1-7-6-8(10-11(7)2)9-4-3-5-12-9/h3-6H,1-2H3
InChIKeyMGZIERSUPARFDY-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.46
Rot. Bonds1

About 1,5-dimethyl-3-thiophen-2-ylpyrazole

1,5-dimethyl-3-thiophen-2-ylpyrazole (PubChem CID 59635615) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1,5-dimethyl-3-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name1,5-dimethyl-3-thiophen-2-ylpyrazole
PubChem CID59635615
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name1,5-dimethyl-3-thiophen-2-ylpyrazole
SMILESCc1cc(-c2cccs2)nn1C
InChIInChI=1S/C9H10N2S/c1-7-6-8(10-11(7)2)9-4-3-5-12-9/h3-6H,1-2H3
InChIKeyMGZIERSUPARFDY-UHFFFAOYSA-N
XLogP2.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole
CID 57160963
4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
CID 4995607
2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile
CID 15707631
1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762
3-bromo-1-methyl-5-thiophen-2-yl-1,2,4-triazole
CID 135039838
2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole
CID 139386122
3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole
CID 56998816
2-chloro-4-methyl-6-thiophen-2-ylpyridine
CID 142254642
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762130
1-butyl-3-thiophen-2-ylpyrazol-5-amine
CID 61270917
1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine
CID 4737047
N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4274947

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-thiophen-2-ylpyrazole?
The IUPAC name of 1,5-dimethyl-3-thiophen-2-ylpyrazole (CID 59635615) is 1,5-dimethyl-3-thiophen-2-ylpyrazole.
What is the SMILES notation for 1,5-dimethyl-3-thiophen-2-ylpyrazole?
The canonical SMILES for 1,5-dimethyl-3-thiophen-2-ylpyrazole is Cc1cc(-c2cccs2)nn1C.
What is the InChIKey of 1,5-dimethyl-3-thiophen-2-ylpyrazole?
The InChIKey is MGZIERSUPARFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-7-6-8(10-11(7)2)9-4-3-5-12-9/h3-6H,1-2H3.
What are the key properties of 1,5-dimethyl-3-thiophen-2-ylpyrazole?
1,5-dimethyl-3-thiophen-2-ylpyrazole has a molecular weight of 178.26 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-thiophen-2-ylpyrazole is sourced from PubChem (CID 59635615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).