2-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide

C15H19N5O2 — CID 135551788

IUPAC2-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)C(C)C)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C15H19N5O2/c1-8(2)13(21)17-12-7-9(3)19-20(12)15-16-11-6-4-5-10(11)14(22)18-15/h7-8H,4-6H2,1-3H3,(H,17,21)(H,16,18,22)
InChIKeyOOYKNALMSYHZRM-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.35
Rot. Bonds3

About 2-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide

2-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide (PubChem CID 135551788) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide
PubChem CID135551788
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)C(C)C)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C15H19N5O2/c1-8(2)13(21)17-12-7-9(3)19-20(12)15-16-11-6-4-5-10(11)14(22)18-15/h7-8H,4-6H2,1-3H3,(H,17,21)(H,16,18,22)
InChIKeyOOYKNALMSYHZRM-UHFFFAOYSA-N
XLogP1.35
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide (CID 135551788) is 2-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide is Cc1cc(NC(=O)C(C)C)n(-c2nc3c(c(=O)[nH]2)CCC3)n1.
What is the InChIKey of 2-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide?
The InChIKey is OOYKNALMSYHZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-8(2)13(21)17-12-7-9(3)19-20(12)15-16-11-6-4-5-10(11)14(22)18-15/h7-8H,4-6H2,1-3H3,(H,17,21)(H,16,18,22).
What are the key properties of 2-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide?
2-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide has a molecular weight of 301.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 135551788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).