4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol

C19H16N6O — CID 136690221

IUPAC4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc(N/N=C\c2ccc(O)cc2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C19H16N6O/c1-13-22-18(24-20-11-14-7-9-16(26)10-8-14)17-12-21-25(19(17)23-13)15-5-3-2-4-6-15/h2-12,26H,1H3,(H,22,23,24)/b20-11-
InChIKeyPFBLAESCUOSMCU-JAIQZWGSSA-N
MW344.38 g/mol
LogP3.28
Rot. Bonds4

About 4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol

4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 136690221) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID136690221
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc(N/N=C\c2ccc(O)cc2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C19H16N6O/c1-13-22-18(24-20-11-14-7-9-16(26)10-8-14)17-12-21-25(19(17)23-13)15-5-3-2-4-6-15/h2-12,26H,1H3,(H,22,23,24)/b20-11-
InChIKeyPFBLAESCUOSMCU-JAIQZWGSSA-N
XLogP3.28
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 6159961
N-[[4-(dimethylamino)phenyl]methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 3741959
2,3-dimethoxy-5-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 72636247
2,4-dibromo-6-[(Z)-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135873537
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 135699371
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethylideneamino)pyrazolo[3,4-d]pyrimidin-4-amine
CID 78416977
N-[(6-amino-3-pyridinyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 86601909
N',N'-dimethyl-N-[5-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]ethane-1,2-diamine
CID 72636240
N-[(3-methylphenyl)methylideneamino]-1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 175967320
1-[3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]azetidin-2-one
CID 154841504
1-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 42671817
4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine
CID 71577988

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 136690221) is 4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is Cc1nc(N/N=C\c2ccc(O)cc2)c2cnn(-c3ccccc3)c2n1.
What is the InChIKey of 4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is PFBLAESCUOSMCU-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H16N6O/c1-13-22-18(24-20-11-14-7-9-16(26)10-8-14)17-12-21-25(19(17)23-13)15-5-3-2-4-6-15/h2-12,26H,1H3,(H,22,23,24)/b20-11-.
What are the key properties of 4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 344.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136690221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).