N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide

C17H19N5O2 — CID 51202548

IUPACN-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C17H19N5O2/c1-12(13-7-5-4-6-8-13)20(2)15(23)10-22-11-18-16-14(17(22)24)9-19-21(16)3/h4-9,11-12H,10H2,1-3H3
InChIKeyCNGDMNAWJJTHJP-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.35
Rot. Bonds4

About N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide

N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide (PubChem CID 51202548) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide
PubChem CID51202548
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C17H19N5O2/c1-12(13-7-5-4-6-8-13)20(2)15(23)10-22-11-18-16-14(17(22)24)9-19-21(16)3/h4-9,11-12H,10H2,1-3H3
InChIKeyCNGDMNAWJJTHJP-UHFFFAOYSA-N
XLogP1.35
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide
CID 27559502
N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 46819114
N-methoxy-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 47138210
N-ethyl-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 134063303
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide
CID 18134744
N-ethyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-naphthalen-1-ylacetamide
CID 27559371
N-benzyl-N-cyclopropyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38253550
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 51288185
1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277108
N-(1,2-diphenylethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24682393
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 46426323
(2-propan-2-ylphenyl) 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate
CID 86915548

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide (CID 51202548) is N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide is CC(c1ccccc1)N(C)C(=O)Cn1cnc2c(cnn2C)c1=O.
What is the InChIKey of N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is CNGDMNAWJJTHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12(13-7-5-4-6-8-13)20(2)15(23)10-22-11-18-16-14(17(22)24)9-19-21(16)3/h4-9,11-12H,10H2,1-3H3.
What are the key properties of N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide?
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 325.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 51202548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).