(3Z,5Z)-3,5-bis[(2-hydroxynaphthalen-1-yl)hydrazinylidene]pyrazol-4-one

C23H16N6O3 — CID 137103686

IUPAC(3Z,5Z)-3,5-bis[(2-hydroxynaphthalen-1-yl)hydrazinylidene]pyrazol-4-one
SMILESO=c1/c(=N/Nc2c(O)ccc3ccccc23)nn/c1=N\Nc1c(O)ccc2ccccc12
InChIInChI=1S/C23H16N6O3/c30-17-11-9-13-5-1-3-7-15(13)19(17)24-26-22-21(32)23(29-28-22)27-25-20-16-8-4-2-6-14(16)10-12-18(20)31/h1-12,24-25,30-31H/b26-22-,27-23-
InChIKeyWMHSYMOZFRLXSF-VDUNRZOZSA-N
MW424.42 g/mol
LogP2.29
Rot. Bonds4

About (3Z,5Z)-3,5-bis[(2-hydroxynaphthalen-1-yl)hydrazinylidene]pyrazol-4-one

(3Z,5Z)-3,5-bis[(2-hydroxynaphthalen-1-yl)hydrazinylidene]pyrazol-4-one (PubChem CID 137103686) has the molecular formula C23H16N6O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is (3Z,5Z)-3,5-bis[(2-hydroxynaphthalen-1-yl)hydrazinylidene]pyrazol-4-one.

Molecular Properties

Compound Name(3Z,5Z)-3,5-bis[(2-hydroxynaphthalen-1-yl)hydrazinylidene]pyrazol-4-one
PubChem CID137103686
Molecular FormulaC23H16N6O3
Molecular Weight424.42 g/mol
Exact Mass424.13
IUPAC Name(3Z,5Z)-3,5-bis[(2-hydroxynaphthalen-1-yl)hydrazinylidene]pyrazol-4-one
SMILESO=c1/c(=N/Nc2c(O)ccc3ccccc23)nn/c1=N\Nc1c(O)ccc2ccccc12
InChIInChI=1S/C23H16N6O3/c30-17-11-9-13-5-1-3-7-15(13)19(17)24-26-22-21(32)23(29-28-22)27-25-20-16-8-4-2-6-14(16)10-12-18(20)31/h1-12,24-25,30-31H/b26-22-,27-23-
InChIKeyWMHSYMOZFRLXSF-VDUNRZOZSA-N
XLogP2.29
TPSA132.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 122361707
2-[bis(2-hydroxyethyl)amino]ethanol;chromium;hydron;(4Z)-4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid;hydrate
CID 71301069
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2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid
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2-(2,6-dichlorophenyl)-N-(2-hydroxynaphthalen-1-yl)acetamide
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2-[2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135454039
1-iodonaphthalen-2-ol
CID 16250
1-fluoronaphthalen-2-ol
CID 11094948
naphthalene-1,2-diol;naphthalene-1,4-diol
CID 157322625
N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide
CID 8797393
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CID 74219017

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3,5-bis[(2-hydroxynaphthalen-1-yl)hydrazinylidene]pyrazol-4-one?
The IUPAC name of (3Z,5Z)-3,5-bis[(2-hydroxynaphthalen-1-yl)hydrazinylidene]pyrazol-4-one (CID 137103686) is (3Z,5Z)-3,5-bis[(2-hydroxynaphthalen-1-yl)hydrazinylidene]pyrazol-4-one.
What is the SMILES notation for (3Z,5Z)-3,5-bis[(2-hydroxynaphthalen-1-yl)hydrazinylidene]pyrazol-4-one?
The canonical SMILES for (3Z,5Z)-3,5-bis[(2-hydroxynaphthalen-1-yl)hydrazinylidene]pyrazol-4-one is O=c1/c(=N/Nc2c(O)ccc3ccccc23)nn/c1=N\Nc1c(O)ccc2ccccc12.
What is the InChIKey of (3Z,5Z)-3,5-bis[(2-hydroxynaphthalen-1-yl)hydrazinylidene]pyrazol-4-one?
The InChIKey is WMHSYMOZFRLXSF-VDUNRZOZSA-N. The full InChI is InChI=1S/C23H16N6O3/c30-17-11-9-13-5-1-3-7-15(13)19(17)24-26-22-21(32)23(29-28-22)27-25-20-16-8-4-2-6-14(16)10-12-18(20)31/h1-12,24-25,30-31H/b26-22-,27-23-.
What are the key properties of (3Z,5Z)-3,5-bis[(2-hydroxynaphthalen-1-yl)hydrazinylidene]pyrazol-4-one?
(3Z,5Z)-3,5-bis[(2-hydroxynaphthalen-1-yl)hydrazinylidene]pyrazol-4-one has a molecular weight of 424.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3,5-bis[(2-hydroxynaphthalen-1-yl)hydrazinylidene]pyrazol-4-one is sourced from PubChem (CID 137103686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).