2-(2,4-dinitrophenyl)-5-methyl-3,4-dihydropyrazole

C10H10N4O4 — CID 171384457

IUPAC2-(2,4-dinitrophenyl)-5-methyl-3,4-dihydropyrazole
SMILESCC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1
InChIInChI=1S/C10H10N4O4/c1-7-4-5-12(11-7)9-3-2-8(13(15)16)6-10(9)14(17)18/h2-3,6H,4-5H2,1H3
InChIKeyBXKCRRUJYRPBDH-UHFFFAOYSA-N
MW250.21 g/mol
LogP2.09
Rot. Bonds3

About 2-(2,4-dinitrophenyl)-5-methyl-3,4-dihydropyrazole

2-(2,4-dinitrophenyl)-5-methyl-3,4-dihydropyrazole (PubChem CID 171384457) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 2-(2,4-dinitrophenyl)-5-methyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(2,4-dinitrophenyl)-5-methyl-3,4-dihydropyrazole
PubChem CID171384457
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name2-(2,4-dinitrophenyl)-5-methyl-3,4-dihydropyrazole
SMILESCC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1
InChIInChI=1S/C10H10N4O4/c1-7-4-5-12(11-7)9-3-2-8(13(15)16)6-10(9)14(17)18/h2-3,6H,4-5H2,1H3
InChIKeyBXKCRRUJYRPBDH-UHFFFAOYSA-N
XLogP2.09
TPSA101.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-(2,4-dinitrophenyl)-5-methyl-3,4-dihydropyrazole?
The IUPAC name of 2-(2,4-dinitrophenyl)-5-methyl-3,4-dihydropyrazole (CID 171384457) is 2-(2,4-dinitrophenyl)-5-methyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(2,4-dinitrophenyl)-5-methyl-3,4-dihydropyrazole?
The canonical SMILES for 2-(2,4-dinitrophenyl)-5-methyl-3,4-dihydropyrazole is CC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-(2,4-dinitrophenyl)-5-methyl-3,4-dihydropyrazole?
The InChIKey is BXKCRRUJYRPBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c1-7-4-5-12(11-7)9-3-2-8(13(15)16)6-10(9)14(17)18/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(2,4-dinitrophenyl)-5-methyl-3,4-dihydropyrazole?
2-(2,4-dinitrophenyl)-5-methyl-3,4-dihydropyrazole has a molecular weight of 250.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitrophenyl)-5-methyl-3,4-dihydropyrazole is sourced from PubChem (CID 171384457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).