methyl 1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylate

C9H10N4O2S — CID 90383214

IUPACmethyl 1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2nnc(C)s2)cnn1C
InChIInChI=1S/C9H10N4O2S/c1-5-11-12-8(16-5)6-4-10-13(2)7(6)9(14)15-3/h4H,1-3H3
InChIKeyVYEMKCKHOOVZTJ-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.03
Rot. Bonds2

About methyl 1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylate

methyl 1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylate (PubChem CID 90383214) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is methyl 1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylate
PubChem CID90383214
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Namemethyl 1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2nnc(C)s2)cnn1C
InChIInChI=1S/C9H10N4O2S/c1-5-11-12-8(16-5)6-4-10-13(2)7(6)9(14)15-3/h4H,1-3H3
InChIKeyVYEMKCKHOOVZTJ-UHFFFAOYSA-N
XLogP1.03
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylate (CID 90383214) is methyl 1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylate is COC(=O)c1c(-c2nnc(C)s2)cnn1C.
What is the InChIKey of methyl 1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylate?
The InChIKey is VYEMKCKHOOVZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-5-11-12-8(16-5)6-4-10-13(2)7(6)9(14)15-3/h4H,1-3H3.
What are the key properties of methyl 1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylate?
methyl 1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylate has a molecular weight of 238.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylate is sourced from PubChem (CID 90383214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).