6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole

C15H20N4O2 — CID 68611732

IUPAC6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole
SMILESCC(C)N1CCC(n2cc3ccc([N+](=O)[O-])cc3n2)CC1
InChIInChI=1S/C15H20N4O2/c1-11(2)17-7-5-13(6-8-17)18-10-12-3-4-14(19(20)21)9-15(12)16-18/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeyKJACQGNRRFBEBP-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.99
Rot. Bonds3

About 6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole

6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole (PubChem CID 68611732) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole.

Molecular Properties

Compound Name6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole
PubChem CID68611732
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole
SMILESCC(C)N1CCC(n2cc3ccc([N+](=O)[O-])cc3n2)CC1
InChIInChI=1S/C15H20N4O2/c1-11(2)17-7-5-13(6-8-17)18-10-12-3-4-14(19(20)21)9-15(12)16-18/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeyKJACQGNRRFBEBP-UHFFFAOYSA-N
XLogP2.99
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
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

2-(cyclopropylmethyl)-6-nitroindazole
CID 59225440
6-nitro-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one
CID 58884993
2-(4-methylphenyl)-6-nitroindazole
CID 620060
2-cyclopentyl-6-propan-2-ylindazole
CID 158645182
(Z)-but-2-enedioic acid;4-(5-nitro-1-benzothiophen-2-yl)-1-propan-2-ylpiperidine
CID 70211781
4-[2-(6-nitroindazol-2-yl)ethyl]morpholine
CID 66712456
4-nitro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887533
2-(2-methylphenyl)-6-nitroindazole
CID 620110
4-(2-butan-2-yl-4-nitrophenoxy)-1-propan-2-ylpiperidine
CID 143514684
1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-ol
CID 117124728
5-nitro-2-(4-propan-2-ylpiperazin-1-yl)aniline
CID 55080250
3-[2-(methoxymethyl)-4-nitrophenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 133341416

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole?
The IUPAC name of 6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole (CID 68611732) is 6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole.
What is the SMILES notation for 6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole?
The canonical SMILES for 6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole is CC(C)N1CCC(n2cc3ccc([N+](=O)[O-])cc3n2)CC1.
What is the InChIKey of 6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole?
The InChIKey is KJACQGNRRFBEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(2)17-7-5-13(6-8-17)18-10-12-3-4-14(19(20)21)9-15(12)16-18/h3-4,9-11,13H,5-8H2,1-2H3.
What are the key properties of 6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole?
6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole has a molecular weight of 288.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole is sourced from PubChem (CID 68611732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).