3-(nitromethylidene)-1,2-dihydropyrazole

C4H5N3O2 — CID 154190715

IUPAC3-(nitromethylidene)-1,2-dihydropyrazole
SMILESO=[N+]([O-])C=C1C=CNN1
InChIInChI=1S/C4H5N3O2/c8-7(9)3-4-1-2-5-6-4/h1-3,5-6H
InChIKeyHZQHZDDKRITXQS-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.27
Rot. Bonds1

About 3-(nitromethylidene)-1,2-dihydropyrazole

3-(nitromethylidene)-1,2-dihydropyrazole (PubChem CID 154190715) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 3-(nitromethylidene)-1,2-dihydropyrazole.

Molecular Properties

Compound Name3-(nitromethylidene)-1,2-dihydropyrazole
PubChem CID154190715
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name3-(nitromethylidene)-1,2-dihydropyrazole
SMILESO=[N+]([O-])C=C1C=CNN1
InChIInChI=1S/C4H5N3O2/c8-7(9)3-4-1-2-5-6-4/h1-3,5-6H
InChIKeyHZQHZDDKRITXQS-UHFFFAOYSA-N
XLogP-0.27
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(nitromethylidene)-1,2-dihydropyrazole?
The IUPAC name of 3-(nitromethylidene)-1,2-dihydropyrazole (CID 154190715) is 3-(nitromethylidene)-1,2-dihydropyrazole.
What is the SMILES notation for 3-(nitromethylidene)-1,2-dihydropyrazole?
The canonical SMILES for 3-(nitromethylidene)-1,2-dihydropyrazole is O=[N+]([O-])C=C1C=CNN1.
What is the InChIKey of 3-(nitromethylidene)-1,2-dihydropyrazole?
The InChIKey is HZQHZDDKRITXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c8-7(9)3-4-1-2-5-6-4/h1-3,5-6H.
What are the key properties of 3-(nitromethylidene)-1,2-dihydropyrazole?
3-(nitromethylidene)-1,2-dihydropyrazole has a molecular weight of 127.10 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(nitromethylidene)-1,2-dihydropyrazole is sourced from PubChem (CID 154190715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).