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

C21H22N6O4 — CID 73339996

IUPACN-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2cc(C)nn2C2=NC(=O)C3CCCC3=N2)cc1
InChIInChI=1S/C21H22N6O4/c1-12-10-17(27(26-12)21-23-16-5-3-4-15(16)18(28)25-21)24-20(30)19(29)22-11-13-6-8-14(31-2)9-7-13/h6-10,15H,3-5,11H2,1-2H3,(H,22,29)(H,24,30)
InChIKeyDIWCWZPQDNFXNP-UHFFFAOYSA-N
MW422.45 g/mol
LogP1.44
Rot. Bonds4

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

N-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide (PubChem CID 73339996) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
PubChem CID73339996
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2cc(C)nn2C2=NC(=O)C3CCCC3=N2)cc1
InChIInChI=1S/C21H22N6O4/c1-12-10-17(27(26-12)21-23-16-5-3-4-15(16)18(28)25-21)24-20(30)19(29)22-11-13-6-8-14(31-2)9-7-13/h6-10,15H,3-5,11H2,1-2H3,(H,22,29)(H,24,30)
InChIKeyDIWCWZPQDNFXNP-UHFFFAOYSA-N
XLogP1.44
TPSA127.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 74802004
1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea
CID 74925017
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
N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 73339872
N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954067
N-[1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74783866
N-[(4-chlorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954061
N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 136641392
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-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339846

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide?
The IUPAC name of 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) is N-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide is COc1ccc(CNC(=O)C(=O)Nc2cc(C)nn2C2=NC(=O)C3CCCC3=N2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide?
The InChIKey is DIWCWZPQDNFXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O4/c1-12-10-17(27(26-12)21-23-16-5-3-4-15(16)18(28)25-21)24-20(30)19(29)22-11-13-6-8-14(31-2)9-7-13/h6-10,15H,3-5,11H2,1-2H3,(H,22,29)(H,24,30).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide?
N-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide has a molecular weight of 422.45 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide is sourced from PubChem (CID 73339996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).