N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-phenylacetohydrazide

C14H14N6O — CID 749956

IUPACN'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-phenylacetohydrazide
SMILESCn1ncc2c(NNC(=O)Cc3ccccc3)ncnc21
InChIInChI=1S/C14H14N6O/c1-20-14-11(8-17-20)13(15-9-16-14)19-18-12(21)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,18,21)(H,15,16,19)
InChIKeyJNQDEYJCINMXHF-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.05
Rot. Bonds4

About N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-phenylacetohydrazide

N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-phenylacetohydrazide (PubChem CID 749956) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-phenylacetohydrazide
PubChem CID749956
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-phenylacetohydrazide
SMILESCn1ncc2c(NNC(=O)Cc3ccccc3)ncnc21
InChIInChI=1S/C14H14N6O/c1-20-14-11(8-17-20)13(15-9-16-14)19-18-12(21)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,18,21)(H,15,16,19)
InChIKeyJNQDEYJCINMXHF-UHFFFAOYSA-N
XLogP1.05
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.05
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

Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
CID 219778
6-chloro-1-methyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 227530
Pyrazolopyridine deriv. 9
CID 6539533
N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
CID 6539535
N-[5-(2-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539542
n-Benzyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221091
4-Hydrazinyl-1-((4-methylphenyl)methyl)-1H-pyrazolo(3,4-d)pyrimidine
CID 930618
N-{5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}propanamide
CID 6539534
2-methyl-N-{5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}propanamide
CID 6539536
N-{5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}cyclopentanecarboxamide
CID 6539537
N-[5-(3-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539543
N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539544

Frequently Asked Questions

What is the IUPAC name of N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-phenylacetohydrazide?
The IUPAC name of N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-phenylacetohydrazide (CID 749956) is N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-phenylacetohydrazide.
What is the SMILES notation for N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-phenylacetohydrazide?
The canonical SMILES for N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-phenylacetohydrazide is Cn1ncc2c(NNC(=O)Cc3ccccc3)ncnc21.
What is the InChIKey of N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-phenylacetohydrazide?
The InChIKey is JNQDEYJCINMXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-20-14-11(8-17-20)13(15-9-16-14)19-18-12(21)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,18,21)(H,15,16,19).
What are the key properties of N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-phenylacetohydrazide?
N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-phenylacetohydrazide has a molecular weight of 282.31 g/mol, XLogP of 1.05, 4 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)-2-phenylacetohydrazide is sourced from PubChem (CID 749956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).