methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate

C10H9N3O3S — CID 43608097

IUPACmethyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cn[nH]c1
InChIInChI=1S/C10H9N3O3S/c1-16-10(15)8-7(2-3-17-8)13-9(14)6-4-11-12-5-6/h2-5H,1H3,(H,11,12)(H,13,14)
InChIKeyGCDTZBOKKXQBQK-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.51
Rot. Bonds3

About methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate

methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate (PubChem CID 43608097) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate
PubChem CID43608097
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Namemethyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cn[nH]c1
InChIInChI=1S/C10H9N3O3S/c1-16-10(15)8-7(2-3-17-8)13-9(14)6-4-11-12-5-6/h2-5H,1H3,(H,11,12)(H,13,14)
InChIKeyGCDTZBOKKXQBQK-UHFFFAOYSA-N
XLogP1.51
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate (CID 43608097) is methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1cn[nH]c1.
What is the InChIKey of methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate?
The InChIKey is GCDTZBOKKXQBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c1-16-10(15)8-7(2-3-17-8)13-9(14)6-4-11-12-5-6/h2-5H,1H3,(H,11,12)(H,13,14).
What are the key properties of methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate?
methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate has a molecular weight of 251.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 43608097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).