5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide

C15H13N5O2S — CID 58314581

IUPAC5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-c2cc(NC3CC3)n3ncc(C=O)c3n2)s1
InChIInChI=1S/C15H13N5O2S/c16-14(22)12-4-3-11(23-12)10-5-13(18-9-1-2-9)20-15(19-10)8(7-21)6-17-20/h3-7,9,18H,1-2H2,(H2,16,22)
InChIKeyIYIWNHKDTDVOPK-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.94
Rot. Bonds5

About 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide

5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide (PubChem CID 58314581) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide
PubChem CID58314581
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-c2cc(NC3CC3)n3ncc(C=O)c3n2)s1
InChIInChI=1S/C15H13N5O2S/c16-14(22)12-4-3-11(23-12)10-5-13(18-9-1-2-9)20-15(19-10)8(7-21)6-17-20/h3-7,9,18H,1-2H2,(H2,16,22)
InChIKeyIYIWNHKDTDVOPK-UHFFFAOYSA-N
XLogP1.94
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide (CID 58314581) is 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide is NC(=O)c1ccc(-c2cc(NC3CC3)n3ncc(C=O)c3n2)s1.
What is the InChIKey of 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide?
The InChIKey is IYIWNHKDTDVOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c16-14(22)12-4-3-11(23-12)10-5-13(18-9-1-2-9)20-15(19-10)8(7-21)6-17-20/h3-7,9,18H,1-2H2,(H2,16,22).
What are the key properties of 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide?
5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 58314581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).