4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol

C15H13BrN6O — CID 136831560

IUPAC4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCc1cnn(-c2cc(N/N=C\c3cc(Br)ccc3O)ncn2)c1
InChIInChI=1S/C15H13BrN6O/c1-10-6-20-22(8-10)15-5-14(17-9-18-15)21-19-7-11-4-12(16)2-3-13(11)23/h2-9,23H,1H3,(H,17,18,21)/b19-7-
InChIKeyPPVBYIUHGYBUIH-GXHLCREISA-N
MW373.21 g/mol
LogP2.88
Rot. Bonds4

About 4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol

4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol (PubChem CID 136831560) has the molecular formula C15H13BrN6O and a molecular weight of 373.21 g/mol. Its IUPAC name is 4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
PubChem CID136831560
Molecular FormulaC15H13BrN6O
Molecular Weight373.21 g/mol
Exact Mass372.03
IUPAC Name4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCc1cnn(-c2cc(N/N=C\c3cc(Br)ccc3O)ncn2)c1
InChIInChI=1S/C15H13BrN6O/c1-10-6-20-22(8-10)15-5-14(17-9-18-15)21-19-7-11-4-12(16)2-3-13(11)23/h2-9,23H,1H3,(H,17,18,21)/b19-7-
InChIKeyPPVBYIUHGYBUIH-GXHLCREISA-N
XLogP2.88
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 3099366
N-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine
CID 5332841
4-bromo-2-[(E)-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135536456
4-bromo-2-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]phenol
CID 5294949
2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 135498029
4-bromo-2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol
CID 135504385
5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde
CID 84711366
4-bromo-2-[(Z)-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136919857
4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2852856
4-bromo-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135576325
4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136705021
5-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 135412297

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol (CID 136831560) is 4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol is Cc1cnn(-c2cc(N/N=C\c3cc(Br)ccc3O)ncn2)c1.
What is the InChIKey of 4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The InChIKey is PPVBYIUHGYBUIH-GXHLCREISA-N. The full InChI is InChI=1S/C15H13BrN6O/c1-10-6-20-22(8-10)15-5-14(17-9-18-15)21-19-7-11-4-12(16)2-3-13(11)23/h2-9,23H,1H3,(H,17,18,21)/b19-7-.
What are the key properties of 4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol has a molecular weight of 373.21 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136831560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).