[2-[(4-nitropyrazol-1-yl)methoxy]phenyl]methylidenehydrazine

C11H11N5O3 — CID 168530563

IUPAC[2-[(4-nitropyrazol-1-yl)methoxy]phenyl]methylidenehydrazine
SMILESNN=Cc1ccccc1OCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H11N5O3/c12-13-5-9-3-1-2-4-11(9)19-8-15-7-10(6-14-15)16(17)18/h1-7H,8,12H2
InChIKeyBGXVBUAFBZAMTC-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.12
Rot. Bonds5

About [2-[(4-nitropyrazol-1-yl)methoxy]phenyl]methylidenehydrazine

[2-[(4-nitropyrazol-1-yl)methoxy]phenyl]methylidenehydrazine (PubChem CID 168530563) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is [2-[(4-nitropyrazol-1-yl)methoxy]phenyl]methylidenehydrazine.

Molecular Properties

Compound Name[2-[(4-nitropyrazol-1-yl)methoxy]phenyl]methylidenehydrazine
PubChem CID168530563
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name[2-[(4-nitropyrazol-1-yl)methoxy]phenyl]methylidenehydrazine
SMILESNN=Cc1ccccc1OCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H11N5O3/c12-13-5-9-3-1-2-4-11(9)19-8-15-7-10(6-14-15)16(17)18/h1-7H,8,12H2
InChIKeyBGXVBUAFBZAMTC-UHFFFAOYSA-N
XLogP1.12
TPSA108.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_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 [2-[(4-nitropyrazol-1-yl)methoxy]phenyl]methylidenehydrazine?
The IUPAC name of [2-[(4-nitropyrazol-1-yl)methoxy]phenyl]methylidenehydrazine (CID 168530563) is [2-[(4-nitropyrazol-1-yl)methoxy]phenyl]methylidenehydrazine.
What is the SMILES notation for [2-[(4-nitropyrazol-1-yl)methoxy]phenyl]methylidenehydrazine?
The canonical SMILES for [2-[(4-nitropyrazol-1-yl)methoxy]phenyl]methylidenehydrazine is NN=Cc1ccccc1OCn1cc([N+](=O)[O-])cn1.
What is the InChIKey of [2-[(4-nitropyrazol-1-yl)methoxy]phenyl]methylidenehydrazine?
The InChIKey is BGXVBUAFBZAMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c12-13-5-9-3-1-2-4-11(9)19-8-15-7-10(6-14-15)16(17)18/h1-7H,8,12H2.
What are the key properties of [2-[(4-nitropyrazol-1-yl)methoxy]phenyl]methylidenehydrazine?
[2-[(4-nitropyrazol-1-yl)methoxy]phenyl]methylidenehydrazine has a molecular weight of 261.24 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-nitropyrazol-1-yl)methoxy]phenyl]methylidenehydrazine is sourced from PubChem (CID 168530563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).