2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide

C19H19N5O2 — CID 7679866

IUPAC2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C19H19N5O2/c1-3-10-22(11-4-2)17(25)13-23-14-20-18-16(19(23)26)12-21-24(18)15-8-6-5-7-9-15/h3-9,12,14H,1-2,10-11,13H2
InChIKeySITULTIBVJTZRA-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.78
Rot. Bonds7

About 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide

2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide (PubChem CID 7679866) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide
PubChem CID7679866
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C19H19N5O2/c1-3-10-22(11-4-2)17(25)13-23-14-20-18-16(19(23)26)12-21-24(18)15-8-6-5-7-9-15/h3-9,12,14H,1-2,10-11,13H2
InChIKeySITULTIBVJTZRA-UHFFFAOYSA-N
XLogP1.78
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-bis(prop-2-enyl)acetamide
CID 46426244
2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide
CID 7679888
5-[2-(4-fluorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7679716
N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882306
N-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24565430
N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 41210926
5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7087494
5-(2-aminoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
CID 75366014
N-(cyclohexylmethyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7679733
N-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7679911
benzyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate
CID 648375
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1088466

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide (CID 7679866) is 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O.
What is the InChIKey of 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is SITULTIBVJTZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-3-10-22(11-4-2)17(25)13-23-14-20-18-16(19(23)26)12-21-24(18)15-8-6-5-7-9-15/h3-9,12,14H,1-2,10-11,13H2.
What are the key properties of 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide?
2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 7679866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).