2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine

C12H12N4O2 — CID 65348974

IUPAC2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1cccc([N+](=O)[O-])c1)CCC2
InChIInChI=1S/C12H12N4O2/c13-12-10-5-2-6-11(10)14-15(12)8-3-1-4-9(7-8)16(17)18/h1,3-4,7H,2,5-6,13H2
InChIKeyNFLBZOSYOKOQFO-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.85
Rot. Bonds2

About 2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine

2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine (PubChem CID 65348974) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine.

Molecular Properties

Compound Name2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
PubChem CID65348974
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1cccc([N+](=O)[O-])c1)CCC2
InChIInChI=1S/C12H12N4O2/c13-12-10-5-2-6-11(10)14-15(12)8-3-1-4-9(7-8)16(17)18/h1,3-4,7H,2,5-6,13H2
InChIKeyNFLBZOSYOKOQFO-UHFFFAOYSA-N
XLogP1.85
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
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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Related Compounds

3-chloro-2-(3-nitrophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 106474806
5-methyl-2-(3-nitrophenyl)-1,2,4-triazol-3-amine
CID 62679220
2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 65348552
2-(3,5-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 65348310
1-(3-nitrophenyl)azetidine
CID 58663764
1-(3-nitrophenyl)pyrrolidine
CID 698267
2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65348458
3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 82592613
3-methyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 82592611
9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one
CID 14423208
5-amino-3-(methylamino)-1-(3-nitrophenyl)pyrazole-4-carbonitrile
CID 102795667
1-(3-nitrophenyl)piperidin-2-one
CID 46786184

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The IUPAC name of 2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine (CID 65348974) is 2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine.
What is the SMILES notation for 2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The canonical SMILES for 2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine is Nc1c2c(nn1-c1cccc([N+](=O)[O-])c1)CCC2.
What is the InChIKey of 2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The InChIKey is NFLBZOSYOKOQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-12-10-5-2-6-11(10)14-15(12)8-3-1-4-9(7-8)16(17)18/h1,3-4,7H,2,5-6,13H2.
What are the key properties of 2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine has a molecular weight of 244.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine is sourced from PubChem (CID 65348974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).