5-methyl-1-thiophen-3-ylpyrazole

C8H8N2S — CID 91034202

IUPAC5-methyl-1-thiophen-3-ylpyrazole
SMILESCc1ccnn1-c1ccsc1
InChIInChI=1S/C8H8N2S/c1-7-2-4-9-10(7)8-3-5-11-6-8/h2-6H,1H3
InChIKeyABKPRKQZRYIZJA-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.24
Rot. Bonds1

About 5-methyl-1-thiophen-3-ylpyrazole

5-methyl-1-thiophen-3-ylpyrazole (PubChem CID 91034202) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 5-methyl-1-thiophen-3-ylpyrazole.

Molecular Properties

Compound Name5-methyl-1-thiophen-3-ylpyrazole
PubChem CID91034202
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name5-methyl-1-thiophen-3-ylpyrazole
SMILESCc1ccnn1-c1ccsc1
InChIInChI=1S/C8H8N2S/c1-7-2-4-9-10(7)8-3-5-11-6-8/h2-6H,1H3
InChIKeyABKPRKQZRYIZJA-UHFFFAOYSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-thienyl)pyrazole
CID 11480538
1-(Thiophen-2-yl)-1H-pyrazole
CID 12554484
1-Thiophen-3-yl-5-(trifluoromethyl)pyrazole
CID 90959824
1-Thiophen-3-yl-3-(trifluoromethyl)pyrazole
CID 90985717
1-Thiophen-2-yl-5-(trifluoromethyl)pyrazole
CID 91206888
4-Methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole
CID 91321982
5-(Difluoromethyl)-1-thiophen-3-ylpyrazole
CID 173589750
5-Iodo-1-(2-iodothiophen-3-yl)pyrazole
CID 53310186
1-(Thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 116621382
1-Thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 153727318
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(3-thienylmethyl)methanamine
CID 50964030
4-iodo-5-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207269

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-thiophen-3-ylpyrazole?
The IUPAC name of 5-methyl-1-thiophen-3-ylpyrazole (CID 91034202) is 5-methyl-1-thiophen-3-ylpyrazole.
What is the SMILES notation for 5-methyl-1-thiophen-3-ylpyrazole?
The canonical SMILES for 5-methyl-1-thiophen-3-ylpyrazole is Cc1ccnn1-c1ccsc1.
What is the InChIKey of 5-methyl-1-thiophen-3-ylpyrazole?
The InChIKey is ABKPRKQZRYIZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-7-2-4-9-10(7)8-3-5-11-6-8/h2-6H,1H3.
What are the key properties of 5-methyl-1-thiophen-3-ylpyrazole?
5-methyl-1-thiophen-3-ylpyrazole has a molecular weight of 164.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-thiophen-3-ylpyrazole is sourced from PubChem (CID 91034202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).