N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide

C13H12N6O — CID 4912610

IUPACN'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide
SMILESCC(=O)NNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C13H12N6O/c1-9(20)17-18-12-11-7-16-19(13(11)15-8-14-12)10-5-3-2-4-6-10/h2-8H,1H3,(H,17,20)(H,14,15,18)
InChIKeyKBKIKSJHYIDZSJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.28
Rot. Bonds3

About N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide

N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide (PubChem CID 4912610) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide
PubChem CID4912610
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC NameN'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide
SMILESCC(=O)NNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C13H12N6O/c1-9(20)17-18-12-11-7-16-19(13(11)15-8-14-12)10-5-3-2-4-6-10/h2-8H,1H3,(H,17,20)(H,14,15,18)
InChIKeyKBKIKSJHYIDZSJ-UHFFFAOYSA-N
XLogP1.28
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.28
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

N-(3-(8-cyano-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazin-2-ylamino)phenyl)acetamide
CID 23656870
Cgp 57380
CID 11644425
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
1H-Pyrazolo[3,4-d]pyrimidine-3,4-diamine, N,N'-diphenyl-
CID 5327823
Pyrazolopyridine deriv. 9
CID 6539533
N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
CID 6539535
(1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-o-tolyl-amine
CID 255410
N-(3-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 2421499
1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 243292
1-phenyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 611207
1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866512
1,5-dimethyl-2-phenyl-4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-1,2-dihydro-3H-pyrazol-3-one
CID 1315303

Frequently Asked Questions

What is the IUPAC name of N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide?
The IUPAC name of N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide (CID 4912610) is N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide.
What is the SMILES notation for N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide?
The canonical SMILES for N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide is CC(=O)NNc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide?
The InChIKey is KBKIKSJHYIDZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-9(20)17-18-12-11-7-16-19(13(11)15-8-14-12)10-5-3-2-4-6-10/h2-8H,1H3,(H,17,20)(H,14,15,18).
What are the key properties of N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide?
N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide has a molecular weight of 268.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide is sourced from PubChem (CID 4912610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).