2,4-dichloro-6-[(Z)-[(Z)-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]hydrazinylidene]methyl]phenol

C16H12Cl2N4O — CID 136910636

IUPAC2,4-dichloro-6-[(Z)-[(Z)-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N\N=C1\C[C@H](c2ccccc2)N=N1
InChIInChI=1S/C16H12Cl2N4O/c17-12-6-11(16(23)13(18)7-12)9-19-21-15-8-14(20-22-15)10-4-2-1-3-5-10/h1-7,9,14,23H,8H2/b19-9-,21-15-/t14-/m1/s1
InChIKeySSLZZBFLKKIIFH-BASIOVDCSA-N
MW347.21 g/mol
LogP5.03
Rot. Bonds3

About 2,4-dichloro-6-[(Z)-[(Z)-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]hydrazinylidene]methyl]phenol

2,4-dichloro-6-[(Z)-[(Z)-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]hydrazinylidene]methyl]phenol (PubChem CID 136910636) has the molecular formula C16H12Cl2N4O and a molecular weight of 347.21 g/mol. Its IUPAC name is 2,4-dichloro-6-[(Z)-[(Z)-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(Z)-[(Z)-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]hydrazinylidene]methyl]phenol
PubChem CID136910636
Molecular FormulaC16H12Cl2N4O
Molecular Weight347.21 g/mol
Exact Mass346.04
IUPAC Name2,4-dichloro-6-[(Z)-[(Z)-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N\N=C1\C[C@H](c2ccccc2)N=N1
InChIInChI=1S/C16H12Cl2N4O/c17-12-6-11(16(23)13(18)7-12)9-19-21-15-8-14(20-22-15)10-4-2-1-3-5-10/h1-7,9,14,23H,8H2/b19-9-,21-15-/t14-/m1/s1
InChIKeySSLZZBFLKKIIFH-BASIOVDCSA-N
XLogP5.03
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.21
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2,4-dichloro-6-[(Z)-[(Z)-[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]hydrazinylidene]methyl]phenol
CID 136662887
2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol
CID 135448473
N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-3,4-dihydropyrazol-5-imine
CID 2905175
2,4-dichloro-6-[[3-[(3S)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl]iminomethyl]phenol
CID 135820671
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
(3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 135577138
2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 2265555
2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol
CID 137279187
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol
CID 135421739
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 615778

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(Z)-[(Z)-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(Z)-[(Z)-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]hydrazinylidene]methyl]phenol (CID 136910636) is 2,4-dichloro-6-[(Z)-[(Z)-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(Z)-[(Z)-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(Z)-[(Z)-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]hydrazinylidene]methyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N\N=C1\C[C@H](c2ccccc2)N=N1.
What is the InChIKey of 2,4-dichloro-6-[(Z)-[(Z)-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]hydrazinylidene]methyl]phenol?
The InChIKey is SSLZZBFLKKIIFH-BASIOVDCSA-N. The full InChI is InChI=1S/C16H12Cl2N4O/c17-12-6-11(16(23)13(18)7-12)9-19-21-15-8-14(20-22-15)10-4-2-1-3-5-10/h1-7,9,14,23H,8H2/b19-9-,21-15-/t14-/m1/s1.
What are the key properties of 2,4-dichloro-6-[(Z)-[(Z)-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]hydrazinylidene]methyl]phenol?
2,4-dichloro-6-[(Z)-[(Z)-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]hydrazinylidene]methyl]phenol has a molecular weight of 347.21 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(Z)-[(Z)-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136910636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).