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

C14H14N6O — CID 939875

IUPAC4-methyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide
SMILESCc1ccc(C(=O)NNc2ncnc3c2cnn3C)cc1
InChIInChI=1S/C14H14N6O/c1-9-3-5-10(6-4-9)14(21)19-18-12-11-7-17-20(2)13(11)16-8-15-12/h3-8H,1-2H3,(H,19,21)(H,15,16,18)
InChIKeyLOEMHCYCMMKMIQ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.43
Rot. Bonds3

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

4-methyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide (PubChem CID 939875) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-methyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide
PubChem CID939875
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name4-methyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide
SMILESCc1ccc(C(=O)NNc2ncnc3c2cnn3C)cc1
InChIInChI=1S/C14H14N6O/c1-9-3-5-10(6-4-9)14(21)19-18-12-11-7-17-20(2)13(11)16-8-15-12/h3-8H,1-2H3,(H,19,21)(H,15,16,18)
InChIKeyLOEMHCYCMMKMIQ-UHFFFAOYSA-N
XLogP1.43
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.43
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,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
1-(4-methylbenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970375
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 145994823
4-Hydrazinyl-1-((4-methylphenyl)methyl)-1H-pyrazolo(3,4-d)pyrimidine
CID 930618
N-(11-methyl-4-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl)-2-phenylacetamide
CID 46206467
N-[4-(4-fluorophenyl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-phenylacetamide
CID 46206468
N-(2-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide
CID 46237928
N'-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide
CID 4912610
N'-[1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]propanehydrazide
CID 16194210
3-Methyl-N'-{1-methyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL}benzohydrazide
CID 16194258
N-[(1-phenylpyrazolo[4,5-e]pyrimidin-4-yl)amino]propanamide
CID 16194320
N'-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-phenylacetohydrazide
CID 749956

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide?
The IUPAC name of 4-methyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide (CID 939875) is 4-methyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide.
What is the SMILES notation for 4-methyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide?
The canonical SMILES for 4-methyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide is Cc1ccc(C(=O)NNc2ncnc3c2cnn3C)cc1.
What is the InChIKey of 4-methyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide?
The InChIKey is LOEMHCYCMMKMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-9-3-5-10(6-4-9)14(21)19-18-12-11-7-17-20(2)13(11)16-8-15-12/h3-8H,1-2H3,(H,19,21)(H,15,16,18).
What are the key properties of 4-methyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide?
4-methyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide has a molecular weight of 282.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide is sourced from PubChem (CID 939875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).