methyl 4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate

C11H13N3O2S — CID 90383433

IUPACmethyl 4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate
SMILESCCc1csc(-c2cnn(C)c2C(=O)OC)n1
InChIInChI=1S/C11H13N3O2S/c1-4-7-6-17-10(13-7)8-5-12-14(2)9(8)11(15)16-3/h5-6H,4H2,1-3H3
InChIKeyJHYSSIOCJVKTAE-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.89
Rot. Bonds3

About methyl 4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate

methyl 4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate (PubChem CID 90383433) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is methyl 4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate
PubChem CID90383433
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Namemethyl 4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate
SMILESCCc1csc(-c2cnn(C)c2C(=O)OC)n1
InChIInChI=1S/C11H13N3O2S/c1-4-7-6-17-10(13-7)8-5-12-14(2)9(8)11(15)16-3/h5-6H,4H2,1-3H3
InChIKeyJHYSSIOCJVKTAE-UHFFFAOYSA-N
XLogP1.89
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate (CID 90383433) is methyl 4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate is CCc1csc(-c2cnn(C)c2C(=O)OC)n1.
What is the InChIKey of methyl 4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate?
The InChIKey is JHYSSIOCJVKTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-4-7-6-17-10(13-7)8-5-12-14(2)9(8)11(15)16-3/h5-6H,4H2,1-3H3.
What are the key properties of methyl 4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate?
methyl 4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate has a molecular weight of 251.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 90383433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).