methyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate

C11H12N4O3S — CID 47292002

IUPACmethyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)c2scnc2C)cn1
InChIInChI=1S/C11H12N4O3S/c1-7-10(19-6-12-7)11(17)14-8-3-13-15(4-8)5-9(16)18-2/h3-4,6H,5H2,1-2H3,(H,14,17)
InChIKeyWQNBRXCPQIJXIV-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.07
Rot. Bonds4

About methyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate

methyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate (PubChem CID 47292002) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is methyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate
PubChem CID47292002
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Namemethyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)c2scnc2C)cn1
InChIInChI=1S/C11H12N4O3S/c1-7-10(19-6-12-7)11(17)14-8-3-13-15(4-8)5-9(16)18-2/h3-4,6H,5H2,1-2H3,(H,14,17)
InChIKeyWQNBRXCPQIJXIV-UHFFFAOYSA-N
XLogP1.07
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate
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methyl 2-[4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazol-1-yl]acetate
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methyl 2-[4-[[2-(thian-4-yl)acetyl]amino]pyrazol-1-yl]acetate
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methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate
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methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate
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CID 47291837

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate (CID 47292002) is methyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate is COC(=O)Cn1cc(NC(=O)c2scnc2C)cn1.
What is the InChIKey of methyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate?
The InChIKey is WQNBRXCPQIJXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-7-10(19-6-12-7)11(17)14-8-3-13-15(4-8)5-9(16)18-2/h3-4,6H,5H2,1-2H3,(H,14,17).
What are the key properties of methyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate?
methyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate has a molecular weight of 280.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate is sourced from PubChem (CID 47292002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).