thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

C12H15N3O2S — CID 66123924

IUPACthiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OCc1ccsc1
InChIInChI=1S/C12H15N3O2S/c1-3-15-11(10(13)8(2)14-15)12(16)17-6-9-4-5-18-7-9/h4-5,7H,3,6,13H2,1-2H3
InChIKeyZCGPHJOMJOEZBQ-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.21
Rot. Bonds4

About thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (PubChem CID 66123924) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namethiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
PubChem CID66123924
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Namethiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OCc1ccsc1
InChIInChI=1S/C12H15N3O2S/c1-3-15-11(10(13)8(2)14-15)12(16)17-6-9-4-5-18-7-9/h4-5,7H,3,6,13H2,1-2H3
InChIKeyZCGPHJOMJOEZBQ-UHFFFAOYSA-N
XLogP2.21
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(1,5-dimethyl-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate
CID 16952213
ethyl 2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)thiophene-3-carboxylate
CID 25854630
[2-Oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] thiophene-3-carboxylate
CID 8330625
Ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 16952214
Methyl 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 44006888
Ethyl 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 44006912
methyl 2-(1-isopropyl-3-methyl-1H-pyrazole-5-carboxamido)thiophene-3-carboxylate
CID 45530730
Ethyl 2-[(5-methyl-2-propan-2-ylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 45530731
methyl 2-(1-isopropyl-5-methyl-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate
CID 45533023
Ethyl 2-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 45533024
Methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 49695898
methyl 2-(1-ethyl-5-methyl-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate
CID 49697474

Frequently Asked Questions

What is the IUPAC name of thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The IUPAC name of thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (CID 66123924) is thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.
What is the SMILES notation for thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The canonical SMILES for thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is CCn1nc(C)c(N)c1C(=O)OCc1ccsc1.
What is the InChIKey of thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The InChIKey is ZCGPHJOMJOEZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-15-11(10(13)8(2)14-15)12(16)17-6-9-4-5-18-7-9/h4-5,7H,3,6,13H2,1-2H3.
What are the key properties of thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate has a molecular weight of 265.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66123924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).