methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate

C12H14N4O3S — CID 65357576

IUPACmethyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate
SMILESCCn1ncc(N)c1C(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C12H14N4O3S/c1-3-16-9(7(13)6-14-16)11(17)15-8-4-5-20-10(8)12(18)19-2/h4-6H,3,13H2,1-2H3,(H,15,17)
InChIKeyMLZXIHZFLLVLST-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.59
Rot. Bonds4

About methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate

methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 65357576) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate
PubChem CID65357576
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Namemethyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate
SMILESCCn1ncc(N)c1C(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C12H14N4O3S/c1-3-16-9(7(13)6-14-16)11(17)15-8-4-5-20-10(8)12(18)19-2/h4-6H,3,13H2,1-2H3,(H,15,17)
InChIKeyMLZXIHZFLLVLST-UHFFFAOYSA-N
XLogP1.59
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate (CID 65357576) is methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate is CCn1ncc(N)c1C(=O)Nc1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is MLZXIHZFLLVLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-3-16-9(7(13)6-14-16)11(17)15-8-4-5-20-10(8)12(18)19-2/h4-6H,3,13H2,1-2H3,(H,15,17).
What are the key properties of methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 294.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 65357576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).