methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate

C10H11N3O2S — CID 121214175

IUPACmethyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate
SMILESCOC(=O)Cn1nc(-c2cccs2)cc1N
InChIInChI=1S/C10H11N3O2S/c1-15-10(14)6-13-9(11)5-7(12-13)8-3-2-4-16-8/h2-5H,6,11H2,1H3
InChIKeyUUGCCCQRDSUMSB-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.37
Rot. Bonds3

About methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate

methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate (PubChem CID 121214175) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate
PubChem CID121214175
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Namemethyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate
SMILESCOC(=O)Cn1nc(-c2cccs2)cc1N
InChIInChI=1S/C10H11N3O2S/c1-15-10(14)6-13-9(11)5-7(12-13)8-3-2-4-16-8/h2-5H,6,11H2,1H3
InChIKeyUUGCCCQRDSUMSB-UHFFFAOYSA-N
XLogP1.37
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
CID 51043067
methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate
CID 67496798
1-butyl-3-thiophen-2-ylpyrazol-5-amine
CID 61270917
2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile
CID 121214173
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 51591864
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 46960778
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide
CID 95857505
ethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 19497203
methyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate
CID 121214084
methyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate
CID 121213555
ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate
CID 820314
methyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate
CID 121211919

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate?
The IUPAC name of methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate (CID 121214175) is methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate?
The canonical SMILES for methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate is COC(=O)Cn1nc(-c2cccs2)cc1N.
What is the InChIKey of methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate?
The InChIKey is UUGCCCQRDSUMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-15-10(14)6-13-9(11)5-7(12-13)8-3-2-4-16-8/h2-5H,6,11H2,1H3.
What are the key properties of methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate?
methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate has a molecular weight of 237.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate is sourced from PubChem (CID 121214175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).