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

C17H25N5O2 — CID 56738274

IUPAC6-(diethylaminomethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCC3CCCO3)cnn2c1
InChIInChI=1S/C17H25N5O2/c1-3-21(4-2)11-13-8-18-16-15(10-20-22(16)12-13)17(23)19-9-14-6-5-7-24-14/h8,10,12,14H,3-7,9,11H2,1-2H3,(H,19,23)
InChIKeyJMWMIWZOFHEOFP-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.48
Rot. Bonds7

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

6-(diethylaminomethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56738274) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56738274
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name6-(diethylaminomethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCC3CCCO3)cnn2c1
InChIInChI=1S/C17H25N5O2/c1-3-21(4-2)11-13-8-18-16-15(10-20-22(16)12-13)17(23)19-9-14-6-5-7-24-14/h8,10,12,14H,3-7,9,11H2,1-2H3,(H,19,23)
InChIKeyJMWMIWZOFHEOFP-UHFFFAOYSA-N
XLogP1.48
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56738274) is 6-(diethylaminomethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NCC3CCCO3)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JMWMIWZOFHEOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-21(4-2)11-13-8-18-16-15(10-20-22(16)12-13)17(23)19-9-14-6-5-7-24-14/h8,10,12,14H,3-7,9,11H2,1-2H3,(H,19,23).
What are the key properties of 6-(diethylaminomethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56738274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).