1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one

C19H12F3N5O — CID 9462057

IUPAC1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1/N=C\c1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F3N5O/c20-19(21,22)16-9-5-4-6-13(16)10-24-26-12-23-17-15(18(26)28)11-25-27(17)14-7-2-1-3-8-14/h1-12H/b24-10-
InChIKeyRIQXYXGRVLLUIJ-VROXFSQNSA-N
MW383.33 g/mol
LogP3.48
Rot. Bonds3

About 1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one

1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 9462057) has the molecular formula C19H12F3N5O and a molecular weight of 383.33 g/mol. Its IUPAC name is 1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID9462057
Molecular FormulaC19H12F3N5O
Molecular Weight383.33 g/mol
Exact Mass383.10
IUPAC Name1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1/N=C\c1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F3N5O/c20-19(21,22)16-9-5-4-6-13(16)10-24-26-12-23-17-15(18(26)28)11-25-27(17)14-7-2-1-3-8-14/h1-12H/b24-10-
InChIKeyRIQXYXGRVLLUIJ-VROXFSQNSA-N
XLogP3.48
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9462122
5-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 135749570
5-[(Z)-(4-butoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9462061
5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 135749561
5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9462088
5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9461880
1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 2387016
N-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine
CID 126057753
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)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine
CID 88584564
5-(1,3-benzodioxol-5-ylmethylideneamino)-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine
CID 23855942

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one (CID 9462057) is 1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2ncn1/N=C\c1ccccc1C(F)(F)F.
What is the InChIKey of 1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RIQXYXGRVLLUIJ-VROXFSQNSA-N. The full InChI is InChI=1S/C19H12F3N5O/c20-19(21,22)16-9-5-4-6-13(16)10-24-26-12-23-17-15(18(26)28)11-25-27(17)14-7-2-1-3-8-14/h1-12H/b24-10-.
What are the key properties of 1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one?
1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 383.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 9462057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).