N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine

C15H14N4O2 — CID 43730801

IUPACN-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine
SMILESCC(Nc1cccc2cn[nH]c12)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N4O2/c1-10(11-5-7-13(8-6-11)19(20)21)17-14-4-2-3-12-9-16-18-15(12)14/h2-10,17H,1H3,(H,16,18)
InChIKeyBXMJKIFTOLBRCQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.64
Rot. Bonds4

About N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine

N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine (PubChem CID 43730801) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine
PubChem CID43730801
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine
SMILESCC(Nc1cccc2cn[nH]c12)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N4O2/c1-10(11-5-7-13(8-6-11)19(20)21)17-14-4-2-3-12-9-16-18-15(12)14/h2-10,17H,1H3,(H,16,18)
InChIKeyBXMJKIFTOLBRCQ-UHFFFAOYSA-N
XLogP3.64
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.64
H-Bond Donors ≤ 52
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

N-[1-(3-bromophenyl)ethyl]-1H-indazol-7-amine
CID 43730994
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine
CID 43788144
N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine
CID 114082685
N-[1-(2-fluorophenyl)ethyl]-1H-indazol-7-amine
CID 43730981
N-butan-2-yl-1H-indazol-7-amine
CID 43730948
N-[(2R)-4-methylpentan-2-yl]-1H-indazol-7-amine
CID 93272922
4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol
CID 43730995
N-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine
CID 43788098
N-(1H-indazol-7-yl)-2-methylpropanamide
CID 31817153
5-nitro-N-(1-pyridin-4-ylethyl)-1H-pyrazol-4-amine
CID 114993640
N-(2-methylpropyl)-1H-indazol-7-amine
CID 43730878
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline
CID 30226768

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine?
The IUPAC name of N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine (CID 43730801) is N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine.
What is the SMILES notation for N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine?
The canonical SMILES for N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine is CC(Nc1cccc2cn[nH]c12)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine?
The InChIKey is BXMJKIFTOLBRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10(11-5-7-13(8-6-11)19(20)21)17-14-4-2-3-12-9-16-18-15(12)14/h2-10,17H,1H3,(H,16,18).
What are the key properties of N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine?
N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine has a molecular weight of 282.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine is sourced from PubChem (CID 43730801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).