N-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H16N4O3S — CID 39945191

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C20H16N4O3S/c25-20(22-7-5-13-3-4-16-17(10-13)27-12-26-16)14-11-23-24-15(6-8-21-19(14)24)18-2-1-9-28-18/h1-4,6,8-11H,5,7,12H2,(H,22,25)
InChIKeyUXLMTVYHOLDRDA-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.16
Rot. Bonds5

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 39945191) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID39945191
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C20H16N4O3S/c25-20(22-7-5-13-3-4-16-17(10-13)27-12-26-16)14-11-23-24-15(6-8-21-19(14)24)18-2-1-9-28-18/h1-4,6,8-11H,5,7,12H2,(H,22,25)
InChIKeyUXLMTVYHOLDRDA-UHFFFAOYSA-N
XLogP3.16
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39004143
7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42873313
N-(3-morpholin-4-ylpropyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416688
7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 7016450
7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855325
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 112828754
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19458330
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17494811
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19333033
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 861830
N-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416757
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19454409

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 39945191) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCc1ccc2c(c1)OCO2)c1cnn2c(-c3cccs3)ccnc12.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UXLMTVYHOLDRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c25-20(22-7-5-13-3-4-16-17(10-13)27-12-26-16)14-11-23-24-15(6-8-21-19(14)24)18-2-1-9-28-18/h1-4,6,8-11H,5,7,12H2,(H,22,25).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 39945191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).