2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide

C7H11N5O3 — CID 17024630

IUPAC2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide
SMILESCc1cc([N+](=O)[O-])nn1C(C)C(=O)NN
InChIInChI=1S/C7H11N5O3/c1-4-3-6(12(14)15)10-11(4)5(2)7(13)9-8/h3,5H,8H2,1-2H3,(H,9,13)
InChIKeyZHILFGNQBQWTNG-UHFFFAOYSA-N
MW213.20 g/mol
LogP-0.35
Rot. Bonds3

About 2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide

2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide (PubChem CID 17024630) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide
PubChem CID17024630
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Name2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide
SMILESCc1cc([N+](=O)[O-])nn1C(C)C(=O)NN
InChIInChI=1S/C7H11N5O3/c1-4-3-6(12(14)15)10-11(4)5(2)7(13)9-8/h3,5H,8H2,1-2H3,(H,9,13)
InChIKeyZHILFGNQBQWTNG-UHFFFAOYSA-N
XLogP-0.35
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide
CID 114253480
N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538960
(2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide
CID 7026070
N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538763
2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283262
N-(2,6-dimethylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538729
2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 19538689
2-(5-methyl-3-nitropyrazol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 19538908
4-[2-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]benzoic acid
CID 19585185
2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 19538791
N-(4-chloro-2-nitrophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538750
N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538770

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide?
The IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide (CID 17024630) is 2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide.
What is the SMILES notation for 2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide?
The canonical SMILES for 2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide is Cc1cc([N+](=O)[O-])nn1C(C)C(=O)NN.
What is the InChIKey of 2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide?
The InChIKey is ZHILFGNQBQWTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-4-3-6(12(14)15)10-11(4)5(2)7(13)9-8/h3,5H,8H2,1-2H3,(H,9,13).
What are the key properties of 2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide?
2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide has a molecular weight of 213.20 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide is sourced from PubChem (CID 17024630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).