methyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate

C11H13N5O3S — CID 95748327

IUPACmethyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)c1nnsc1C
InChIInChI=1S/C11H13N5O3S/c1-5-7(9(11(18)19-4)14-16(5)3)12-10(17)8-6(2)20-15-13-8/h1-4H3,(H,12,17)
InChIKeyJURVGQSSZDFVDM-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.93
Rot. Bonds3

About methyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate

methyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate (PubChem CID 95748327) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is methyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate
PubChem CID95748327
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Namemethyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)c1nnsc1C
InChIInChI=1S/C11H13N5O3S/c1-5-7(9(11(18)19-4)14-16(5)3)12-10(17)8-6(2)20-15-13-8/h1-4H3,(H,12,17)
InChIKeyJURVGQSSZDFVDM-UHFFFAOYSA-N
XLogP0.93
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 1,5-dimethyl-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pyrazole-3-carboxylate
CID 95748248
methyl 4-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748175
methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate
CID 95748425
methyl 1,5-dimethyl-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-3-carboxylate
CID 95748149
methyl 1,4,5-trimethylpyrazole-3-carboxylate
CID 144787574
methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748376
methyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate
CID 110280744
methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 75358466
methyl 4-[(2,4-difluorobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748401
methyl 4-[(2-chloro-4,5-difluorobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748394
methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748286
methyl 4-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748126

Frequently Asked Questions

What is the IUPAC name of methyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate?
The IUPAC name of methyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate (CID 95748327) is methyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate is COC(=O)c1nn(C)c(C)c1NC(=O)c1nnsc1C.
What is the InChIKey of methyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate?
The InChIKey is JURVGQSSZDFVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-5-7(9(11(18)19-4)14-16(5)3)12-10(17)8-6(2)20-15-13-8/h1-4H3,(H,12,17).
What are the key properties of methyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate?
methyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate has a molecular weight of 295.32 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate is sourced from PubChem (CID 95748327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).