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

C16H20N6OS — CID 56708366

IUPAC6-(diethylaminomethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCc3nccs3)cnn2c1
InChIInChI=1S/C16H20N6OS/c1-3-21(4-2)10-12-7-18-15-13(8-20-22(15)11-12)16(23)19-9-14-17-5-6-24-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,23)
InChIKeyQROYWBKVABBTMS-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.96
Rot. Bonds7

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

6-(diethylaminomethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56708366) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56708366
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name6-(diethylaminomethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCc3nccs3)cnn2c1
InChIInChI=1S/C16H20N6OS/c1-3-21(4-2)10-12-7-18-15-13(8-20-22(15)11-12)16(23)19-9-14-17-5-6-24-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,23)
InChIKeyQROYWBKVABBTMS-UHFFFAOYSA-N
XLogP1.96
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56708366) is 6-(diethylaminomethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NCc3nccs3)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QROYWBKVABBTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-3-21(4-2)10-12-7-18-15-13(8-20-22(15)11-12)16(23)19-9-14-17-5-6-24-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,23).
What are the key properties of 6-(diethylaminomethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56708366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).