1-(4-methylthiophen-3-yl)pyrazole

C8H8N2S — CID 68587491

IUPAC1-(4-methylthiophen-3-yl)pyrazole
SMILESCc1cscc1-n1cccn1
InChIInChI=1S/C8H8N2S/c1-7-5-11-6-8(7)10-4-2-3-9-10/h2-6H,1H3
InChIKeyJVOFATHPYYTEKS-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.24
Rot. Bonds1

About 1-(4-methylthiophen-3-yl)pyrazole

1-(4-methylthiophen-3-yl)pyrazole (PubChem CID 68587491) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-(4-methylthiophen-3-yl)pyrazole.

Molecular Properties

Compound Name1-(4-methylthiophen-3-yl)pyrazole
PubChem CID68587491
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name1-(4-methylthiophen-3-yl)pyrazole
SMILESCc1cscc1-n1cccn1
InChIInChI=1S/C8H8N2S/c1-7-5-11-6-8(7)10-4-2-3-9-10/h2-6H,1H3
InChIKeyJVOFATHPYYTEKS-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-3-yl-3-(trifluoromethyl)pyrazole
CID 90985717
4-Methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole
CID 91321982
5-Iodo-1-(2-iodothiophen-3-yl)pyrazole
CID 53310186
N-methyl-3-(1H-pyrazol-1-yl)-N-(3-thienylmethyl)propan-1-amine
CID 50967142
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(3-thienylmethyl)propan-2-amine
CID 50968678
1-(Thiophen-3-ylmethyl)pyrazole
CID 63812394
3-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207650
2-(4-methyl-1H-pyrazol-1-yl)thiophen-3-amine
CID 68784506
1-(3-Methylthiophen-2-yl)pyrazole
CID 69827317
1-(5-Chlorothiophen-3-yl)pyrazole
CID 89311056
5-Methyl-1-thiophen-3-ylpyrazole
CID 91034202

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophen-3-yl)pyrazole?
The IUPAC name of 1-(4-methylthiophen-3-yl)pyrazole (CID 68587491) is 1-(4-methylthiophen-3-yl)pyrazole.
What is the SMILES notation for 1-(4-methylthiophen-3-yl)pyrazole?
The canonical SMILES for 1-(4-methylthiophen-3-yl)pyrazole is Cc1cscc1-n1cccn1.
What is the InChIKey of 1-(4-methylthiophen-3-yl)pyrazole?
The InChIKey is JVOFATHPYYTEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-7-5-11-6-8(7)10-4-2-3-9-10/h2-6H,1H3.
What are the key properties of 1-(4-methylthiophen-3-yl)pyrazole?
1-(4-methylthiophen-3-yl)pyrazole 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 1-(4-methylthiophen-3-yl)pyrazole is sourced from PubChem (CID 68587491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).