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

C17H16N6O2S — CID 119074020

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)c1cc2ncc(CCO)cn2n1
InChIInChI=1S/C17H16N6O2S/c1-22(9-11-2-3-13-14(6-11)21-26-20-13)17(25)15-7-16-18-8-12(4-5-24)10-23(16)19-15/h2-3,6-8,10,24H,4-5,9H2,1H3
InChIKeyDHPHMMNREPDNGQ-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.54
Rot. Bonds5

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

N-(2,1,3-benzothiadiazol-5-ylmethyl)-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 119074020) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID119074020
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)c1cc2ncc(CCO)cn2n1
InChIInChI=1S/C17H16N6O2S/c1-22(9-11-2-3-13-14(6-11)21-26-20-13)17(25)15-7-16-18-8-12(4-5-24)10-23(16)19-15/h2-3,6-8,10,24H,4-5,9H2,1H3
InChIKeyDHPHMMNREPDNGQ-UHFFFAOYSA-N
XLogP1.54
TPSA96.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 119074020) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CN(Cc1ccc2nsnc2c1)C(=O)c1cc2ncc(CCO)cn2n1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DHPHMMNREPDNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-22(9-11-2-3-13-14(6-11)21-26-20-13)17(25)15-7-16-18-8-12(4-5-24)10-23(16)19-15/h2-3,6-8,10,24H,4-5,9H2,1H3.
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 119074020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).