[2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine

C10H10BrN5O2 — CID 62244286

IUPAC[2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine
SMILESNNc1ccc([N+](=O)[O-])cc1Cn1cc(Br)cn1
InChIInChI=1S/C10H10BrN5O2/c11-8-4-13-15(6-8)5-7-3-9(16(17)18)1-2-10(7)14-12/h1-4,6,14H,5,12H2
InChIKeySNPWVTWZOPPIAJ-UHFFFAOYSA-N
MW312.13 g/mol
LogP1.89
Rot. Bonds4

About [2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine

[2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine (PubChem CID 62244286) has the molecular formula C10H10BrN5O2 and a molecular weight of 312.13 g/mol. Its IUPAC name is [2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine
PubChem CID62244286
Molecular FormulaC10H10BrN5O2
Molecular Weight312.13 g/mol
Exact Mass311.00
IUPAC Name[2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine
SMILESNNc1ccc([N+](=O)[O-])cc1Cn1cc(Br)cn1
InChIInChI=1S/C10H10BrN5O2/c11-8-4-13-15(6-8)5-7-3-9(16(17)18)1-2-10(7)14-12/h1-4,6,14H,5,12H2
InChIKeySNPWVTWZOPPIAJ-UHFFFAOYSA-N
XLogP1.89
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(azepan-1-ylmethyl)-4-nitrophenyl]hydrazine
CID 62244610
[2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 62244833
1-[(2-chloro-5-nitrophenyl)methyl]-4-nitropyrazole
CID 43169178
3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63770628
2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]pyrimidine-4,6-diamine
CID 62251379
[2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine
CID 64719785
[4-nitro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 103502418
[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 83221769
[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine
CID 63482048
[2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 65281765
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-3-propan-2-ylimidazol-2-one
CID 80580461
4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one
CID 62246881

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine?
The IUPAC name of [2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine (CID 62244286) is [2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine.
What is the SMILES notation for [2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine?
The canonical SMILES for [2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine is NNc1ccc([N+](=O)[O-])cc1Cn1cc(Br)cn1.
What is the InChIKey of [2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine?
The InChIKey is SNPWVTWZOPPIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O2/c11-8-4-13-15(6-8)5-7-3-9(16(17)18)1-2-10(7)14-12/h1-4,6,14H,5,12H2.
What are the key properties of [2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine?
[2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine has a molecular weight of 312.13 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine is sourced from PubChem (CID 62244286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).