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

C13H15N5O2 — CID 135551784

IUPACN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C13H15N5O2/c1-7-6-11(14-8(2)19)18(17-7)13-15-10-5-3-4-9(10)12(20)16-13/h6H,3-5H2,1-2H3,(H,14,19)(H,15,16,20)
InChIKeyAUPGWPOPZQZWKJ-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.71
Rot. Bonds2

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

N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide (PubChem CID 135551784) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
PubChem CID135551784
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C13H15N5O2/c1-7-6-11(14-8(2)19)18(17-7)13-15-10-5-3-4-9(10)12(20)16-13/h6H,3-5H2,1-2H3,(H,14,19)(H,15,16,20)
InChIKeyAUPGWPOPZQZWKJ-UHFFFAOYSA-N
XLogP0.71
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide (CID 135551784) is 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 N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide is CC(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is AUPGWPOPZQZWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-7-6-11(14-8(2)19)18(17-7)13-15-10-5-3-4-9(10)12(20)16-13/h6H,3-5H2,1-2H3,(H,14,19)(H,15,16,20).
What are the key properties of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide?
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 273.30 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 135551784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).