1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole

C12H11N3O2 — CID 153285823

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(C2CCc3ccccc32)c1
InChIInChI=1S/C12H11N3O2/c16-15(17)10-7-13-14(8-10)12-6-5-9-3-1-2-4-11(9)12/h1-4,7-8,12H,5-6H2
InChIKeyNSJGHKBENFGWCU-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.33
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole

1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole (PubChem CID 153285823) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole
PubChem CID153285823
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(C2CCc3ccccc32)c1
InChIInChI=1S/C12H11N3O2/c16-15(17)10-7-13-14(8-10)12-6-5-9-3-1-2-4-11(9)12/h1-4,7-8,12H,5-6H2
InChIKeyNSJGHKBENFGWCU-UHFFFAOYSA-N
XLogP2.33
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
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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Related Compounds

3-[2-(4-nitropyrazol-1-yl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799426
1-(1-methylpyrazol-4-yl)-3-(4-nitropyrazol-1-yl)pyrrolidin-2-one
CID 86771294
1-(2,3-dihydro-1H-inden-1-yl)-4-(3-nitrophenyl)sulfonylpiperazine
CID 110399892
1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine
CID 155280191
(2R,6R)-1-benzyl-2,6-dimethyl-4-(4-nitropyrazol-1-yl)piperidine
CID 165161671
4-nitro-1-phenylpyrazole
CID 2755894
4-(4-nitropyrazol-1-yl)pyrrolidin-3-ol
CID 63705005
1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one
CID 91660041
1-(2-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 111750633
N-methyl-3-(4-nitropyrazol-1-yl)cycloheptan-1-amine
CID 121419975
1-[(1S)-2,3-dihydro-1H-inden-1-yl]piperazine
CID 30634298
2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine
CID 16793666

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole (CID 153285823) is 1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole is O=[N+]([O-])c1cnn(C2CCc3ccccc32)c1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole?
The InChIKey is NSJGHKBENFGWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-15(17)10-7-13-14(8-10)12-6-5-9-3-1-2-4-11(9)12/h1-4,7-8,12H,5-6H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole?
1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole has a molecular weight of 229.24 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole is sourced from PubChem (CID 153285823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).