1-ethyl-5-(4-methylthiophen-2-yl)pyrazole

C10H12N2S — CID 67260575

IUPAC1-ethyl-5-(4-methylthiophen-2-yl)pyrazole
SMILESCCn1nccc1-c1cc(C)cs1
InChIInChI=1S/C10H12N2S/c1-3-12-9(4-5-11-12)10-6-8(2)7-13-10/h4-7H,3H2,1-2H3
InChIKeyVLCNVCKHAYWXBF-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.94
Rot. Bonds2

About 1-ethyl-5-(4-methylthiophen-2-yl)pyrazole

1-ethyl-5-(4-methylthiophen-2-yl)pyrazole (PubChem CID 67260575) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 1-ethyl-5-(4-methylthiophen-2-yl)pyrazole.

Molecular Properties

Compound Name1-ethyl-5-(4-methylthiophen-2-yl)pyrazole
PubChem CID67260575
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name1-ethyl-5-(4-methylthiophen-2-yl)pyrazole
SMILESCCn1nccc1-c1cc(C)cs1
InChIInChI=1S/C10H12N2S/c1-3-12-9(4-5-11-12)10-6-8(2)7-13-10/h4-7H,3H2,1-2H3
InChIKeyVLCNVCKHAYWXBF-UHFFFAOYSA-N
XLogP2.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-methylthiophen-2-yl)pyrazole?
The IUPAC name of 1-ethyl-5-(4-methylthiophen-2-yl)pyrazole (CID 67260575) is 1-ethyl-5-(4-methylthiophen-2-yl)pyrazole.
What is the SMILES notation for 1-ethyl-5-(4-methylthiophen-2-yl)pyrazole?
The canonical SMILES for 1-ethyl-5-(4-methylthiophen-2-yl)pyrazole is CCn1nccc1-c1cc(C)cs1.
What is the InChIKey of 1-ethyl-5-(4-methylthiophen-2-yl)pyrazole?
The InChIKey is VLCNVCKHAYWXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-3-12-9(4-5-11-12)10-6-8(2)7-13-10/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-(4-methylthiophen-2-yl)pyrazole?
1-ethyl-5-(4-methylthiophen-2-yl)pyrazole has a molecular weight of 192.29 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-methylthiophen-2-yl)pyrazole is sourced from PubChem (CID 67260575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).