1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone

C12H14N2OS — CID 105091117

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone
SMILESCCn1nc(C)cc1C(=O)Cc1ccsc1
InChIInChI=1S/C12H14N2OS/c1-3-14-11(6-9(2)13-14)12(15)7-10-4-5-16-8-10/h4-6,8H,3,7H2,1-2H3
InChIKeyBAKMYHPYVMEXJD-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.70
Rot. Bonds4

About 1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone

1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone (PubChem CID 105091117) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone
PubChem CID105091117
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone
SMILESCCn1nc(C)cc1C(=O)Cc1ccsc1
InChIInChI=1S/C12H14N2OS/c1-3-14-11(6-9(2)13-14)12(15)7-10-4-5-16-8-10/h4-6,8H,3,7H2,1-2H3
InChIKeyBAKMYHPYVMEXJD-UHFFFAOYSA-N
XLogP2.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone (CID 105091117) is 1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone is CCn1nc(C)cc1C(=O)Cc1ccsc1.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone?
The InChIKey is BAKMYHPYVMEXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-14-11(6-9(2)13-14)12(15)7-10-4-5-16-8-10/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone?
1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone has a molecular weight of 234.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 105091117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).