N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide

C15H16N6O — CID 29133372

IUPACN'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide
SMILESCn1ncc2c(NNC(=O)CCc3ccccc3)ncnc21
InChIInChI=1S/C15H16N6O/c1-21-15-12(9-18-21)14(16-10-17-15)20-19-13(22)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,19,22)(H,16,17,20)
InChIKeyWDKJAYXMMXHDCB-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.44
Rot. Bonds5

About N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide

N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide (PubChem CID 29133372) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide.

Molecular Properties

Compound NameN'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide
PubChem CID29133372
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC NameN'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide
SMILESCn1ncc2c(NNC(=O)CCc3ccccc3)ncnc21
InChIInChI=1S/C15H16N6O/c1-21-15-12(9-18-21)14(16-10-17-15)20-19-13(22)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,19,22)(H,16,17,20)
InChIKeyWDKJAYXMMXHDCB-UHFFFAOYSA-N
XLogP1.44
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinyl]-4-oxobutanoic acid
CID 2808998
N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide
CID 35045555
4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 47295068
(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 93056813
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-phenylbenzene-1,2-diamine
CID 4975424
4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
CID 693338
2,2-dimethyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanoic acid
CID 114285536
N-(1,5-dimethylpyrazol-4-yl)-3-phenylpropanamide
CID 19399602
N'-[1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]butanehydrazide
CID 18851852
N'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide
CID 17442210
N-(2-chloro-2-phenylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 65027355
1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312142

Frequently Asked Questions

What is the IUPAC name of N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide?
The IUPAC name of N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide (CID 29133372) is N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide.
What is the SMILES notation for N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide?
The canonical SMILES for N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide is Cn1ncc2c(NNC(=O)CCc3ccccc3)ncnc21.
What is the InChIKey of N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide?
The InChIKey is WDKJAYXMMXHDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-21-15-12(9-18-21)14(16-10-17-15)20-19-13(22)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,19,22)(H,16,17,20).
What are the key properties of N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide?
N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide has a molecular weight of 296.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide is sourced from PubChem (CID 29133372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).