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

C10H11N3O2S — CID 90383252

IUPACmethyl 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2nc(C)cs2)cnn1C
InChIInChI=1S/C10H11N3O2S/c1-6-5-16-9(12-6)7-4-11-13(2)8(7)10(14)15-3/h4-5H,1-3H3
InChIKeyNGGNVYOVCFKBKX-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.64
Rot. Bonds2

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

methyl 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate (PubChem CID 90383252) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is methyl 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate
PubChem CID90383252
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Namemethyl 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2nc(C)cs2)cnn1C
InChIInChI=1S/C10H11N3O2S/c1-6-5-16-9(12-6)7-4-11-13(2)8(7)10(14)15-3/h4-5H,1-3H3
InChIKeyNGGNVYOVCFKBKX-UHFFFAOYSA-N
XLogP1.64
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate (CID 90383252) is methyl 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate is COC(=O)c1c(-c2nc(C)cs2)cnn1C.
What is the InChIKey of methyl 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate?
The InChIKey is NGGNVYOVCFKBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-6-5-16-9(12-6)7-4-11-13(2)8(7)10(14)15-3/h4-5H,1-3H3.
What are the key properties of methyl 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate?
methyl 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate has a molecular weight of 237.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate is sourced from PubChem (CID 90383252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).