3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide

C7H11N5O3 — CID 7018422

IUPAC3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
SMILESCc1nn(CCC(=O)NN)cc1[N+](=O)[O-]
InChIInChI=1S/C7H11N5O3/c1-5-6(12(14)15)4-11(10-5)3-2-7(13)9-8/h4H,2-3,8H2,1H3,(H,9,13)
InChIKeyZSTIMXOMZSIUMC-UHFFFAOYSA-N
MW213.20 g/mol
LogP-0.52
Rot. Bonds4

About 3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide

3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide (PubChem CID 7018422) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
PubChem CID7018422
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Name3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
SMILESCc1nn(CCC(=O)NN)cc1[N+](=O)[O-]
InChIInChI=1S/C7H11N5O3/c1-5-6(12(14)15)4-11(10-5)3-2-7(13)9-8/h4H,2-3,8H2,1H3,(H,9,13)
InChIKeyZSTIMXOMZSIUMC-UHFFFAOYSA-N
XLogP-0.52
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-0.52
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide?
The IUPAC name of 3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide (CID 7018422) is 3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide.
What is the SMILES notation for 3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide?
The canonical SMILES for 3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide is Cc1nn(CCC(=O)NN)cc1[N+](=O)[O-].
What is the InChIKey of 3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide?
The InChIKey is ZSTIMXOMZSIUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-5-6(12(14)15)4-11(10-5)3-2-7(13)9-8/h4H,2-3,8H2,1H3,(H,9,13).
What are the key properties of 3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide?
3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide has a molecular weight of 213.20 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide is sourced from PubChem (CID 7018422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).