3-methyl-1-thiophen-2-ylpyrazole

C8H8N2S — CID 67207650

IUPAC3-methyl-1-thiophen-2-ylpyrazole
SMILESCc1ccn(-c2cccs2)n1
InChIInChI=1S/C8H8N2S/c1-7-4-5-10(9-7)8-3-2-6-11-8/h2-6H,1H3
InChIKeyUFDFACMXDPUVEE-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.24
Rot. Bonds1

About 3-methyl-1-thiophen-2-ylpyrazole

3-methyl-1-thiophen-2-ylpyrazole (PubChem CID 67207650) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 3-methyl-1-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name3-methyl-1-thiophen-2-ylpyrazole
PubChem CID67207650
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name3-methyl-1-thiophen-2-ylpyrazole
SMILESCc1ccn(-c2cccs2)n1
InChIInChI=1S/C8H8N2S/c1-7-4-5-10(9-7)8-3-2-6-11-8/h2-6H,1H3
InChIKeyUFDFACMXDPUVEE-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,N-dimethyl-N'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-N'-(3-thienylmethyl)ethane-1,2-diamine
CID 46986262
N-(3-thienyl)pyrazole
CID 11480538
1-(Thiophen-2-yl)-1H-pyrazole
CID 12554484
4-Chloro-1-thiophen-2-ylpyrazole
CID 91477161
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
4-Fluoro-1-thiophen-2-ylpyrazole
CID 91802495
5-(Difluoromethyl)-1-thiophen-3-ylpyrazole
CID 173589750
1-(Thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 116621382
1-Thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 153727318

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-thiophen-2-ylpyrazole?
The IUPAC name of 3-methyl-1-thiophen-2-ylpyrazole (CID 67207650) is 3-methyl-1-thiophen-2-ylpyrazole.
What is the SMILES notation for 3-methyl-1-thiophen-2-ylpyrazole?
The canonical SMILES for 3-methyl-1-thiophen-2-ylpyrazole is Cc1ccn(-c2cccs2)n1.
What is the InChIKey of 3-methyl-1-thiophen-2-ylpyrazole?
The InChIKey is UFDFACMXDPUVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-7-4-5-10(9-7)8-3-2-6-11-8/h2-6H,1H3.
What are the key properties of 3-methyl-1-thiophen-2-ylpyrazole?
3-methyl-1-thiophen-2-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 3-methyl-1-thiophen-2-ylpyrazole is sourced from PubChem (CID 67207650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).