N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H27N5O2 — CID 137018384

IUPACN-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN(CC)C(=O)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C18H27N5O2/c1-4-10-22(5-2)18(25)16-12(3)21-23-14(11-15(24)20-17(16)23)13-6-8-19-9-7-13/h11,13,19H,4-10H2,1-3H3,(H,20,24)
InChIKeyOLOGFXMXWNZBSJ-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.67
Rot. Bonds5

About N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137018384) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137018384
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN(CC)C(=O)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C18H27N5O2/c1-4-10-22(5-2)18(25)16-12(3)21-23-14(11-15(24)20-17(16)23)13-6-8-19-9-7-13/h11,13,19H,4-10H2,1-3H3,(H,20,24)
InChIKeyOLOGFXMXWNZBSJ-UHFFFAOYSA-N
XLogP1.67
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137018384) is N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCN(CC)C(=O)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OLOGFXMXWNZBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-4-10-22(5-2)18(25)16-12(3)21-23-14(11-15(24)20-17(16)23)13-6-8-19-9-7-13/h11,13,19H,4-10H2,1-3H3,(H,20,24).
What are the key properties of N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137018384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).