N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide

C23H25N5O4 — CID 74801947

IUPACN-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2cc(C3CC3)nn2C2=NC(=O)C3CCCC3=N2)cc1
InChIInChI=1S/C23H25N5O4/c1-2-31-15-8-10-16(11-9-15)32-13-21(29)25-20-12-19(14-6-7-14)27-28(20)23-24-18-5-3-4-17(18)22(30)26-23/h8-12,14,17H,2-7,13H2,1H3,(H,25,29)
InChIKeyBCSBQBWXCGERDP-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.16
Rot. Bonds7

About N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide

N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide (PubChem CID 74801947) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide
PubChem CID74801947
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2cc(C3CC3)nn2C2=NC(=O)C3CCCC3=N2)cc1
InChIInChI=1S/C23H25N5O4/c1-2-31-15-8-10-16(11-9-15)32-13-21(29)25-20-12-19(14-6-7-14)27-28(20)23-24-18-5-3-4-17(18)22(30)26-23/h8-12,14,17H,2-7,13H2,1H3,(H,25,29)
InChIKeyBCSBQBWXCGERDP-UHFFFAOYSA-N
XLogP3.16
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide with MolForge

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Related Compounds

N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 74802004
N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-phenoxypropanamide
CID 74801943
N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
CID 74802009
5-cyclopropyl-N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide
CID 74801969
N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide
CID 78715775
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-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 73339996
N-[1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74783866
N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 135892173
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-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenyl)acetamide
CID 135892114
N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-naphthalen-2-yloxyacetamide
CID 135892170

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide (CID 74801947) is N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)Nc2cc(C3CC3)nn2C2=NC(=O)C3CCCC3=N2)cc1.
What is the InChIKey of N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is BCSBQBWXCGERDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-2-31-15-8-10-16(11-9-15)32-13-21(29)25-20-12-19(14-6-7-14)27-28(20)23-24-18-5-3-4-17(18)22(30)26-23/h8-12,14,17H,2-7,13H2,1H3,(H,25,29).
What are the key properties of N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide?
N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 435.48 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 74801947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).