1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one

C15H11N5O — CID 2387016

IUPAC1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1-n1cccc1
InChIInChI=1S/C15H11N5O/c21-15-13-10-17-20(12-6-2-1-3-7-12)14(13)16-11-19(15)18-8-4-5-9-18/h1-11H
InChIKeyJLZLZZGJICZARC-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.70
Rot. Bonds2

About 1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one

1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 2387016) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID2387016
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1-n1cccc1
InChIInChI=1S/C15H11N5O/c21-15-13-10-17-20(12-6-2-1-3-7-12)14(13)16-11-19(15)18-8-4-5-9-18/h1-11H
InChIKeyJLZLZZGJICZARC-UHFFFAOYSA-N
XLogP1.70
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 59355040
5-(2-aminoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
CID 75366014
5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9462122
5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7679714
5-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 135749570
1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one
CID 9462057
5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7087494
1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135408735
5-[2-(2-fluorophenoxy)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 17446572
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16811190
N-(3-acetylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7679719
4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804090

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one (CID 2387016) is 1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2ncn1-n1cccc1.
What is the InChIKey of 1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JLZLZZGJICZARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c21-15-13-10-17-20(12-6-2-1-3-7-12)14(13)16-11-19(15)18-8-4-5-9-18/h1-11H.
What are the key properties of 1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one?
1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 277.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 2387016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).