3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine

C16H18N4O2 — CID 82592613

IUPAC3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESNC1CCCc2c1c(C1CC1)nn2-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H18N4O2/c17-13-5-2-6-14-15(13)16(10-7-8-10)18-19(14)11-3-1-4-12(9-11)20(21)22/h1,3-4,9-10,13H,2,5-8,17H2
InChIKeyWBBXTNRQFFQCJS-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.99
Rot. Bonds3

About 3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine

3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 82592613) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID82592613
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESNC1CCCc2c1c(C1CC1)nn2-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H18N4O2/c17-13-5-2-6-14-15(13)16(10-7-8-10)18-19(14)11-3-1-4-12(9-11)20(21)22/h1,3-4,9-10,13H,2,5-8,17H2
InChIKeyWBBXTNRQFFQCJS-UHFFFAOYSA-N
XLogP2.99
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.99
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-methyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 82592611
(4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125481313
2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 65348974
[5-cyclopropyl-1-(3-nitrophenyl)triazol-4-yl]methanamine
CID 82200099
5-methyl-2-(3-nitrophenyl)-1,2,4-triazol-3-amine
CID 62679220
9-(3-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62712878
1-(3-nitrophenyl)azetidine
CID 58663764
1-(3-nitrophenyl)pyrrolidine
CID 698267
(3aR,7aS)-2-(3-nitrophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2245221
3-chloro-2-(3-nitrophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 106474806
[2-(1-aminoethyl)piperidin-1-yl]-[5-methyl-1-(3-nitrophenyl)triazol-4-yl]methanone;hydrochloride
CID 119436670
5-amino-3-(methylamino)-1-(3-nitrophenyl)pyrazole-4-carbonitrile
CID 102795667

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 82592613) is 3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine is NC1CCCc2c1c(C1CC1)nn2-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is WBBXTNRQFFQCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-13-5-2-6-14-15(13)16(10-7-8-10)18-19(14)11-3-1-4-12(9-11)20(21)22/h1,3-4,9-10,13H,2,5-8,17H2.
What are the key properties of 3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine?
3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 298.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 82592613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).