2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide

C19H23N5O2 — CID 7679888

IUPAC2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O)C(C)C
InChIInChI=1S/C19H23N5O2/c1-13(2)23(14(3)4)17(25)11-22-12-20-18-16(19(22)26)10-21-24(18)15-8-6-5-7-9-15/h5-10,12-14H,11H2,1-4H3
InChIKeySGEHFBXBWOYNRN-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.23
Rot. Bonds5

About 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide

2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide (PubChem CID 7679888) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide
PubChem CID7679888
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O)C(C)C
InChIInChI=1S/C19H23N5O2/c1-13(2)23(14(3)4)17(25)11-22-12-20-18-16(19(22)26)10-21-24(18)15-8-6-5-7-9-15/h5-10,12-14H,11H2,1-4H3
InChIKeySGEHFBXBWOYNRN-UHFFFAOYSA-N
XLogP2.23
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide
CID 7679866
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-(4-fluorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7679716
5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7087494
N-[1-(3-chlorophenyl)ethyl]-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 18193496
5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 110884817
N-[(1S,2S)-2-methylcyclohexyl]-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7544972
ethyl 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate
CID 7160453
5-(2-aminoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
CID 75366014
N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide
CID 27559502

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide (CID 7679888) is 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O)C(C)C.
What is the InChIKey of 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide?
The InChIKey is SGEHFBXBWOYNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13(2)23(14(3)4)17(25)11-22-12-20-18-16(19(22)26)10-21-24(18)15-8-6-5-7-9-15/h5-10,12-14H,11H2,1-4H3.
What are the key properties of 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide?
2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide has a molecular weight of 353.43 g/mol, XLogP of 2.23, 5 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-di(propan-2-yl)acetamide is sourced from PubChem (CID 7679888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).