3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline

C11H14N6O2 — CID 80908372

IUPAC3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline
SMILESCn1cc(CNc2cc(NN)cc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C11H14N6O2/c1-16-7-8(6-14-16)5-13-9-2-10(15-12)4-11(3-9)17(18)19/h2-4,6-7,13,15H,5,12H2,1H3
InChIKeyWLWAWRZJEAAXOV-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.23
Rot. Bonds5

About 3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline

3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline (PubChem CID 80908372) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline.

Molecular Properties

Compound Name3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline
PubChem CID80908372
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline
SMILESCn1cc(CNc2cc(NN)cc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C11H14N6O2/c1-16-7-8(6-14-16)5-13-9-2-10(15-12)4-11(3-9)17(18)19/h2-4,6-7,13,15H,5,12H2,1H3
InChIKeyWLWAWRZJEAAXOV-UHFFFAOYSA-N
XLogP1.23
TPSA111.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-[(1-methylpyrazol-4-yl)methyl]-4-nitroaniline
CID 103952611
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline
CID 43718791
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-4-nitroaniline
CID 47364369
3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline
CID 114181142
2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-nitroaniline
CID 103828468
4-[(1-methylpyrazol-4-yl)methylamino]-3-nitrobenzaldehyde
CID 83104968
N-(2,2-dimethylbutyl)-3-hydrazinyl-5-nitroaniline
CID 103466749
3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine
CID 107465279
4-nitro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571418
2-(3-hydrazinyl-5-nitroanilino)acetamide
CID 80931618
N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline
CID 80932130
N-[(4-bromothiophen-2-yl)methyl]-3-hydrazinyl-5-nitroaniline
CID 80917328

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline?
The IUPAC name of 3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline (CID 80908372) is 3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline.
What is the SMILES notation for 3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline?
The canonical SMILES for 3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline is Cn1cc(CNc2cc(NN)cc([N+](=O)[O-])c2)cn1.
What is the InChIKey of 3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline?
The InChIKey is WLWAWRZJEAAXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-16-7-8(6-14-16)5-13-9-2-10(15-12)4-11(3-9)17(18)19/h2-4,6-7,13,15H,5,12H2,1H3.
What are the key properties of 3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline?
3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline has a molecular weight of 262.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline is sourced from PubChem (CID 80908372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).