6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C13H13N5O2S — CID 121499041

IUPAC6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1nccs1)c1cc2ncc(CCO)cn2n1
InChIInChI=1S/C13H13N5O2S/c19-3-1-9-6-15-11-5-10(17-18(11)8-9)13(20)16-7-12-14-2-4-21-12/h2,4-6,8,19H,1,3,7H2,(H,16,20)
InChIKeyVDGFROOVFYOJEN-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.65
Rot. Bonds5

About 6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 121499041) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID121499041
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1nccs1)c1cc2ncc(CCO)cn2n1
InChIInChI=1S/C13H13N5O2S/c19-3-1-9-6-15-11-5-10(17-18(11)8-9)13(20)16-7-12-14-2-4-21-12/h2,4-6,8,19H,1,3,7H2,(H,16,20)
InChIKeyVDGFROOVFYOJEN-UHFFFAOYSA-N
XLogP0.65
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 121499041) is 6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1nccs1)c1cc2ncc(CCO)cn2n1.
What is the InChIKey of 6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is VDGFROOVFYOJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c19-3-1-9-6-15-11-5-10(17-18(11)8-9)13(20)16-7-12-14-2-4-21-12/h2,4-6,8,19H,1,3,7H2,(H,16,20).
What are the key properties of 6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 303.35 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 121499041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).