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

C16H25N5O2 — CID 56702451

IUPAC6-(diethylaminomethyl)-N-(2-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(O)CNC(=O)c1cnn2cc(CN(CC)CC)cnc12
InChIInChI=1S/C16H25N5O2/c1-4-13(22)8-18-16(23)14-9-19-21-11-12(7-17-15(14)21)10-20(5-2)6-3/h7,9,11,13,22H,4-6,8,10H2,1-3H3,(H,18,23)
InChIKeyURHAQVINXXMTQX-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.07
Rot. Bonds8

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

6-(diethylaminomethyl)-N-(2-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56702451) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-(2-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-(2-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56702451
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name6-(diethylaminomethyl)-N-(2-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(O)CNC(=O)c1cnn2cc(CN(CC)CC)cnc12
InChIInChI=1S/C16H25N5O2/c1-4-13(22)8-18-16(23)14-9-19-21-11-12(7-17-15(14)21)10-20(5-2)6-3/h7,9,11,13,22H,4-6,8,10H2,1-3H3,(H,18,23)
InChIKeyURHAQVINXXMTQX-UHFFFAOYSA-N
XLogP1.07
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-(2-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-(2-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56702451) is 6-(diethylaminomethyl)-N-(2-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-(2-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-(2-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(O)CNC(=O)c1cnn2cc(CN(CC)CC)cnc12.
What is the InChIKey of 6-(diethylaminomethyl)-N-(2-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is URHAQVINXXMTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-4-13(22)8-18-16(23)14-9-19-21-11-12(7-17-15(14)21)10-20(5-2)6-3/h7,9,11,13,22H,4-6,8,10H2,1-3H3,(H,18,23).
What are the key properties of 6-(diethylaminomethyl)-N-(2-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-(2-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-(2-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56702451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).