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

C10H12N4O2S — CID 90383512

IUPACmethyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate
SMILESCCc1nnc(-c2cnn(C)c2C(=O)OC)s1
InChIInChI=1S/C10H12N4O2S/c1-4-7-12-13-9(17-7)6-5-11-14(2)8(6)10(15)16-3/h5H,4H2,1-3H3
InChIKeyAEFMVHKLACBJKQ-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.29
Rot. Bonds3

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

methyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate (PubChem CID 90383512) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is methyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate
PubChem CID90383512
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Namemethyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate
SMILESCCc1nnc(-c2cnn(C)c2C(=O)OC)s1
InChIInChI=1S/C10H12N4O2S/c1-4-7-12-13-9(17-7)6-5-11-14(2)8(6)10(15)16-3/h5H,4H2,1-3H3
InChIKeyAEFMVHKLACBJKQ-UHFFFAOYSA-N
XLogP1.29
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate (CID 90383512) is methyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate is CCc1nnc(-c2cnn(C)c2C(=O)OC)s1.
What is the InChIKey of methyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate?
The InChIKey is AEFMVHKLACBJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-4-7-12-13-9(17-7)6-5-11-14(2)8(6)10(15)16-3/h5H,4H2,1-3H3.
What are the key properties of methyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate?
methyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate has a molecular weight of 252.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 90383512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).