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

C18H24N6OS — CID 56706417

IUPAC6-(diethylaminomethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)N(C)C(C)c3nccs3)cnn2c1
InChIInChI=1S/C18H24N6OS/c1-5-23(6-2)11-14-9-20-16-15(10-21-24(16)12-14)18(25)22(4)13(3)17-19-7-8-26-17/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeySQTKTVXYOYQGGK-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.86
Rot. Bonds7

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

6-(diethylaminomethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56706417) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56706417
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name6-(diethylaminomethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)N(C)C(C)c3nccs3)cnn2c1
InChIInChI=1S/C18H24N6OS/c1-5-23(6-2)11-14-9-20-16-15(10-21-24(16)12-14)18(25)22(4)13(3)17-19-7-8-26-17/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeySQTKTVXYOYQGGK-UHFFFAOYSA-N
XLogP2.86
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56706417) is 6-(diethylaminomethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)N(C)C(C)c3nccs3)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SQTKTVXYOYQGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-5-23(6-2)11-14-9-20-16-15(10-21-24(16)12-14)18(25)22(4)13(3)17-19-7-8-26-17/h7-10,12-13H,5-6,11H2,1-4H3.
What are the key properties of 6-(diethylaminomethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 372.50 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56706417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).