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

C16H21N5O2 — CID 78715775

IUPACN-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide
SMILESCCCCC(=O)Nc1cc(C)nn1C1=NC(=O)C2CCCC2=N1
InChIInChI=1S/C16H21N5O2/c1-3-4-8-14(22)18-13-9-10(2)20-21(13)16-17-12-7-5-6-11(12)15(23)19-16/h9,11H,3-8H2,1-2H3,(H,18,22)
InChIKeyOEOJYLCAVNPBGZ-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.31
Rot. Bonds4

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

N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide (PubChem CID 78715775) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide
PubChem CID78715775
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide
SMILESCCCCC(=O)Nc1cc(C)nn1C1=NC(=O)C2CCCC2=N1
InChIInChI=1S/C16H21N5O2/c1-3-4-8-14(22)18-13-9-10(2)20-21(13)16-17-12-7-5-6-11(12)15(23)19-16/h9,11H,3-8H2,1-2H3,(H,18,22)
InChIKeyOEOJYLCAVNPBGZ-UHFFFAOYSA-N
XLogP2.31
TPSA88.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate
CID 78715844
1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea
CID 74925017
N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-N-(3-phenylpropyl)oxamide
CID 73340006
N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 73339975
N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide
CID 73339991
N-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 73339996
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxoacetamide
CID 73339977
N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide
CID 74801947
1-(4-butoxyphenyl)-3-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]urea
CID 74925046
N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 74802004
2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide
CID 74798472
N-[1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74783866

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide?
The IUPAC name of N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide (CID 78715775) is N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide.
What is the SMILES notation for N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide?
The canonical SMILES for N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide is CCCCC(=O)Nc1cc(C)nn1C1=NC(=O)C2CCCC2=N1.
What is the InChIKey of N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide?
The InChIKey is OEOJYLCAVNPBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-4-8-14(22)18-13-9-10(2)20-21(13)16-17-12-7-5-6-11(12)15(23)19-16/h9,11H,3-8H2,1-2H3,(H,18,22).
What are the key properties of N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide?
N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide has a molecular weight of 315.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide is sourced from PubChem (CID 78715775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).