(3-nitropyrazol-1-yl)-phenylmethanone

C10H7N3O3 — CID 700133

IUPAC(3-nitropyrazol-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)n1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H7N3O3/c14-10(8-4-2-1-3-5-8)12-7-6-9(11-12)13(15)16/h1-7H
InChIKeyMIWUBRDWBKJULS-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.48
Rot. Bonds2

About (3-nitropyrazol-1-yl)-phenylmethanone

(3-nitropyrazol-1-yl)-phenylmethanone (PubChem CID 700133) has the molecular formula C10H7N3O3 and a molecular weight of 217.18 g/mol. Its IUPAC name is (3-nitropyrazol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-nitropyrazol-1-yl)-phenylmethanone
PubChem CID700133
Molecular FormulaC10H7N3O3
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Name(3-nitropyrazol-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)n1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H7N3O3/c14-10(8-4-2-1-3-5-8)12-7-6-9(11-12)13(15)16/h1-7H
InChIKeyMIWUBRDWBKJULS-UHFFFAOYSA-N
XLogP1.48
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-nitropyrazol-1-yl)-phenylmethanone?
The IUPAC name of (3-nitropyrazol-1-yl)-phenylmethanone (CID 700133) is (3-nitropyrazol-1-yl)-phenylmethanone.
What is the SMILES notation for (3-nitropyrazol-1-yl)-phenylmethanone?
The canonical SMILES for (3-nitropyrazol-1-yl)-phenylmethanone is O=C(c1ccccc1)n1ccc([N+](=O)[O-])n1.
What is the InChIKey of (3-nitropyrazol-1-yl)-phenylmethanone?
The InChIKey is MIWUBRDWBKJULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3/c14-10(8-4-2-1-3-5-8)12-7-6-9(11-12)13(15)16/h1-7H.
What are the key properties of (3-nitropyrazol-1-yl)-phenylmethanone?
(3-nitropyrazol-1-yl)-phenylmethanone has a molecular weight of 217.18 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitropyrazol-1-yl)-phenylmethanone is sourced from PubChem (CID 700133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).