N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-naphthalen-2-yloxypropanehydrazide

C26H24N4O4 — CID 55455227

IUPACN'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-naphthalen-2-yloxypropanehydrazide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)C(C)Oc1ccc2ccccc2c1
InChIInChI=1S/C26H24N4O4/c1-16-23(17(2)30(29-16)21-11-5-4-6-12-21)24(31)26(33)28-27-25(32)18(3)34-22-14-13-19-9-7-8-10-20(19)15-22/h4-15,18H,1-3H3,(H,27,32)(H,28,33)
InChIKeyQHLRJYRGLCCQAC-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.44
Rot. Bonds6

About N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-naphthalen-2-yloxypropanehydrazide

N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-naphthalen-2-yloxypropanehydrazide (PubChem CID 55455227) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-naphthalen-2-yloxypropanehydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-naphthalen-2-yloxypropanehydrazide
PubChem CID55455227
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC NameN'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-naphthalen-2-yloxypropanehydrazide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)C(C)Oc1ccc2ccccc2c1
InChIInChI=1S/C26H24N4O4/c1-16-23(17(2)30(29-16)21-11-5-4-6-12-21)24(31)26(33)28-27-25(32)18(3)34-22-14-13-19-9-7-8-10-20(19)15-22/h4-15,18H,1-3H3,(H,27,32)(H,28,33)
InChIKeyQHLRJYRGLCCQAC-UHFFFAOYSA-N
XLogP3.44
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-naphthalen-2-yloxypropanehydrazide?
The IUPAC name of N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-naphthalen-2-yloxypropanehydrazide (CID 55455227) is N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-naphthalen-2-yloxypropanehydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-naphthalen-2-yloxypropanehydrazide?
The canonical SMILES for N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-naphthalen-2-yloxypropanehydrazide is Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)C(C)Oc1ccc2ccccc2c1.
What is the InChIKey of N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-naphthalen-2-yloxypropanehydrazide?
The InChIKey is QHLRJYRGLCCQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-16-23(17(2)30(29-16)21-11-5-4-6-12-21)24(31)26(33)28-27-25(32)18(3)34-22-14-13-19-9-7-8-10-20(19)15-22/h4-15,18H,1-3H3,(H,27,32)(H,28,33).
What are the key properties of N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-naphthalen-2-yloxypropanehydrazide?
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-naphthalen-2-yloxypropanehydrazide has a molecular weight of 456.50 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-naphthalen-2-yloxypropanehydrazide is sourced from PubChem (CID 55455227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).