(4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-ethylpyrazole-4-carboxylate

C12H15N3O2S — CID 71987625

IUPAC(4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-ethylpyrazole-4-carboxylate
SMILESCCn1cc(C(=O)OCc2nc(C)c(C)s2)cn1
InChIInChI=1S/C12H15N3O2S/c1-4-15-6-10(5-13-15)12(16)17-7-11-14-8(2)9(3)18-11/h5-6H,4,7H2,1-3H3
InChIKeyYNQZOAKVUHAVOM-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.33
Rot. Bonds4

About (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-ethylpyrazole-4-carboxylate

(4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-ethylpyrazole-4-carboxylate (PubChem CID 71987625) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-ethylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-ethylpyrazole-4-carboxylate
PubChem CID71987625
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name(4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-ethylpyrazole-4-carboxylate
SMILESCCn1cc(C(=O)OCc2nc(C)c(C)s2)cn1
InChIInChI=1S/C12H15N3O2S/c1-4-15-6-10(5-13-15)12(16)17-7-11-14-8(2)9(3)18-11/h5-6H,4,7H2,1-3H3
InChIKeyYNQZOAKVUHAVOM-UHFFFAOYSA-N
XLogP2.33
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-ethylpyrazole-4-carboxylate?
The IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-ethylpyrazole-4-carboxylate (CID 71987625) is (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-ethylpyrazole-4-carboxylate.
What is the SMILES notation for (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-ethylpyrazole-4-carboxylate?
The canonical SMILES for (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-ethylpyrazole-4-carboxylate is CCn1cc(C(=O)OCc2nc(C)c(C)s2)cn1.
What is the InChIKey of (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-ethylpyrazole-4-carboxylate?
The InChIKey is YNQZOAKVUHAVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-4-15-6-10(5-13-15)12(16)17-7-11-14-8(2)9(3)18-11/h5-6H,4,7H2,1-3H3.
What are the key properties of (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-ethylpyrazole-4-carboxylate?
(4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-ethylpyrazole-4-carboxylate has a molecular weight of 265.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-ethylpyrazole-4-carboxylate is sourced from PubChem (CID 71987625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).