5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C12H11N5O2S — CID 145153222

IUPAC5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)Nc3csc(CO)c3)c2n1
InChIInChI=1S/C12H11N5O2S/c13-10-1-2-17-11(16-10)9(4-14-17)12(19)15-7-3-8(5-18)20-6-7/h1-4,6,18H,5H2,(H2,13,16)(H,15,19)
InChIKeyILEHAODFTRGFFF-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.12
Rot. Bonds3

About 5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 145153222) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID145153222
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)Nc3csc(CO)c3)c2n1
InChIInChI=1S/C12H11N5O2S/c13-10-1-2-17-11(16-10)9(4-14-17)12(19)15-7-3-8(5-18)20-6-7/h1-4,6,18H,5H2,(H2,13,16)(H,15,19)
InChIKeyILEHAODFTRGFFF-UHFFFAOYSA-N
XLogP1.12
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 145153222) is 5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1ccn2ncc(C(=O)Nc3csc(CO)c3)c2n1.
What is the InChIKey of 5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ILEHAODFTRGFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c13-10-1-2-17-11(16-10)9(4-14-17)12(19)15-7-3-8(5-18)20-6-7/h1-4,6,18H,5H2,(H2,13,16)(H,15,19).
What are the key properties of 5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145153222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).