1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine

C13H14N4O2 — CID 102942644

IUPAC1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
SMILESCc1ccc(-n2nc(N)c3c2CCC3)cc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O2/c1-8-5-6-9(7-12(8)17(18)19)16-11-4-2-3-10(11)13(14)15-16/h5-7H,2-4H2,1H3,(H2,14,15)
InChIKeySLQRGJFSKNGUKF-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.16
Rot. Bonds2

About 1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine

1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine (PubChem CID 102942644) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
PubChem CID102942644
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
SMILESCc1ccc(-n2nc(N)c3c2CCC3)cc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O2/c1-8-5-6-9(7-12(8)17(18)19)16-11-4-2-3-10(11)13(14)15-16/h5-7H,2-4H2,1H3,(H2,14,15)
InChIKeySLQRGJFSKNGUKF-UHFFFAOYSA-N
XLogP2.16
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.16
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

1-(3-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942792
1-(4-methyl-3-nitrophenyl)-3-phenyl-6,7-dihydro-5H-indazol-4-one
CID 110458780
1-(4-fluoro-2-nitrophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942606
1-(2,4-dichloro-6-nitrophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942698
1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 102942370
1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942361
3-methyl-1-(4-methyl-3-nitrophenyl)-1,2,4-triazole
CID 166607561
2-[1-(4-methyl-3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetonitrile
CID 82591820
1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine
CID 102942537
1-(4-methyl-3-nitrophenyl)pyrrole
CID 883573
1-(4-methyl-3-nitrophenyl)piperidin-4-amine
CID 62910930
1-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16771372

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine?
The IUPAC name of 1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine (CID 102942644) is 1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine.
What is the SMILES notation for 1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine?
The canonical SMILES for 1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine is Cc1ccc(-n2nc(N)c3c2CCC3)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine?
The InChIKey is SLQRGJFSKNGUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-5-6-9(7-12(8)17(18)19)16-11-4-2-3-10(11)13(14)15-16/h5-7H,2-4H2,1H3,(H2,14,15).
What are the key properties of 1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine?
1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine has a molecular weight of 258.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine is sourced from PubChem (CID 102942644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).