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

C14H17N5O3 — CID 135551807

IUPAC2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCOCC(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C14H17N5O3/c1-8-6-11(16-12(20)7-22-2)19(18-8)14-15-10-5-3-4-9(10)13(21)17-14/h6H,3-5,7H2,1-2H3,(H,16,20)(H,15,17,21)
InChIKeyFPFADOKPEFORAD-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.34
Rot. Bonds4

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

2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide (PubChem CID 135551807) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
PubChem CID135551807
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCOCC(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C14H17N5O3/c1-8-6-11(16-12(20)7-22-2)19(18-8)14-15-10-5-3-4-9(10)13(21)17-14/h6H,3-5,7H2,1-2H3,(H,16,20)(H,15,17,21)
InChIKeyFPFADOKPEFORAD-UHFFFAOYSA-N
XLogP0.34
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide (CID 135551807) is 2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide is COCC(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is FPFADOKPEFORAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-8-6-11(16-12(20)7-22-2)19(18-8)14-15-10-5-3-4-9(10)13(21)17-14/h6H,3-5,7H2,1-2H3,(H,16,20)(H,15,17,21).
What are the key properties of 2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide?
2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 303.32 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 135551807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).