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

C18H23N7O — CID 56740135

IUPAC6-(diethylaminomethyl)-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCCc3cnccn3)cnn2c1
InChIInChI=1S/C18H23N7O/c1-3-24(4-2)12-14-9-22-17-16(11-23-25(17)13-14)18(26)21-6-5-15-10-19-7-8-20-15/h7-11,13H,3-6,12H2,1-2H3,(H,21,26)
InChIKeyGJORWCPMIBKUMC-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.33
Rot. Bonds8

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

6-(diethylaminomethyl)-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56740135) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56740135
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name6-(diethylaminomethyl)-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCCc3cnccn3)cnn2c1
InChIInChI=1S/C18H23N7O/c1-3-24(4-2)12-14-9-22-17-16(11-23-25(17)13-14)18(26)21-6-5-15-10-19-7-8-20-15/h7-11,13H,3-6,12H2,1-2H3,(H,21,26)
InChIKeyGJORWCPMIBKUMC-UHFFFAOYSA-N
XLogP1.33
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56740135) is 6-(diethylaminomethyl)-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NCCc3cnccn3)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GJORWCPMIBKUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-3-24(4-2)12-14-9-22-17-16(11-23-25(17)13-14)18(26)21-6-5-15-10-19-7-8-20-15/h7-11,13H,3-6,12H2,1-2H3,(H,21,26).
What are the key properties of 6-(diethylaminomethyl)-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56740135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).