2,4-dichloro-6-[(E)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol

C15H12Cl2N6O — CID 135536473

IUPAC2,4-dichloro-6-[(E)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCc1cnn(-c2cc(N/N=C/c3cc(Cl)cc(Cl)c3O)ncn2)c1
InChIInChI=1S/C15H12Cl2N6O/c1-9-5-21-23(7-9)14-4-13(18-8-19-14)22-20-6-10-2-11(16)3-12(17)15(10)24/h2-8,24H,1H3,(H,18,19,22)/b20-6+
InChIKeyMEBDEEHACRYYCW-CGOBSMCZSA-N
MW363.21 g/mol
LogP3.43
Rot. Bonds4

About 2,4-dichloro-6-[(E)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol

2,4-dichloro-6-[(E)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol (PubChem CID 135536473) has the molecular formula C15H12Cl2N6O and a molecular weight of 363.21 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
PubChem CID135536473
Molecular FormulaC15H12Cl2N6O
Molecular Weight363.21 g/mol
Exact Mass362.04
IUPAC Name2,4-dichloro-6-[(E)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCc1cnn(-c2cc(N/N=C/c3cc(Cl)cc(Cl)c3O)ncn2)c1
InChIInChI=1S/C15H12Cl2N6O/c1-9-5-21-23(7-9)14-4-13(18-8-19-14)22-20-6-10-2-11(16)3-12(17)15(10)24/h2-8,24H,1H3,(H,18,19,22)/b20-6+
InChIKeyMEBDEEHACRYYCW-CGOBSMCZSA-N
XLogP3.43
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.43
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

3,5-Dichloro-2-hydroxybenzaldehyde (5-bromo-2-pyrimidinyl)hydrazone
CID 135421697
2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439982
2-[[[2,6-Bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol
CID 2851565
2,4-dichloro-6-[(E)-[(1-methylpyridin-1-ium-2-yl)hydrazinylidene]methyl]phenol iodide
CID 135419392
2-[(E)-{2-[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene}methyl]-4-chlorophenol
CID 135459087
4-chloro-2-[(E)-{2-[2,6-di(pyrrolidin-1-yl)pyrimidin-4-yl]hydrazinylidene}methyl]phenol
CID 135466642
dichloro-[2,4-dichloro-6-[(E)-(2-pyridylhydrazono)methyl]phenoxy]iron
CID 135484778
chloro-[2,4-dichloro-6-[(E)-(2-pyridylhydrazono)methyl]phenoxy]copper
CID 135484780
4-chloro-2-(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)phenol
CID 135429607
2,4-dichloro-6-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429663
2,4-dichloro-6-[3-(3-methyl-2-pyridyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429666
2,4-Dichloro-6-[2-methyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]phenol
CID 135429669

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol (CID 135536473) is 2,4-dichloro-6-[(E)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol is Cc1cnn(-c2cc(N/N=C/c3cc(Cl)cc(Cl)c3O)ncn2)c1.
What is the InChIKey of 2,4-dichloro-6-[(E)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The InChIKey is MEBDEEHACRYYCW-CGOBSMCZSA-N. The full InChI is InChI=1S/C15H12Cl2N6O/c1-9-5-21-23(7-9)14-4-13(18-8-19-14)22-20-6-10-2-11(16)3-12(17)15(10)24/h2-8,24H,1H3,(H,18,19,22)/b20-6+.
What are the key properties of 2,4-dichloro-6-[(E)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
2,4-dichloro-6-[(E)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol has a molecular weight of 363.21 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135536473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).