6-(diethylaminomethyl)-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H23N5OS — CID 56760315

IUPAC6-(diethylaminomethyl)-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCCc3cccs3)cnn2c1
InChIInChI=1S/C18H23N5OS/c1-3-22(4-2)12-14-10-20-17-16(11-21-23(17)13-14)18(24)19-8-7-15-6-5-9-25-15/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,19,24)
InChIKeyHXOTXUJZESUOSK-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.61
Rot. Bonds8

About 6-(diethylaminomethyl)-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(diethylaminomethyl)-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56760315) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56760315
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name6-(diethylaminomethyl)-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCCc3cccs3)cnn2c1
InChIInChI=1S/C18H23N5OS/c1-3-22(4-2)12-14-10-20-17-16(11-21-23(17)13-14)18(24)19-8-7-15-6-5-9-25-15/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,19,24)
InChIKeyHXOTXUJZESUOSK-UHFFFAOYSA-N
XLogP2.61
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56760315) is 6-(diethylaminomethyl)-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NCCc3cccs3)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HXOTXUJZESUOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-3-22(4-2)12-14-10-20-17-16(11-21-23(17)13-14)18(24)19-8-7-15-6-5-9-25-15/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,19,24).
What are the key properties of 6-(diethylaminomethyl)-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56760315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).