1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine

C16H15ClN4O2 — CID 70911848

IUPAC1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine
SMILESCCC(N)(c1ccc(Cl)cc1)c1[nH]nc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C16H15ClN4O2/c1-2-16(18,10-6-8-11(17)9-7-10)15-12-4-3-5-13(21(22)23)14(12)19-20-15/h3-9H,2,18H2,1H3,(H,19,20)
InChIKeyAIDKSZWAJFMFSZ-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.74
Rot. Bonds4

About 1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine

1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine (PubChem CID 70911848) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine
PubChem CID70911848
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine
SMILESCCC(N)(c1ccc(Cl)cc1)c1[nH]nc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C16H15ClN4O2/c1-2-16(18,10-6-8-11(17)9-7-10)15-12-4-3-5-13(21(22)23)14(12)19-20-15/h3-9H,2,18H2,1H3,(H,19,20)
InChIKeyAIDKSZWAJFMFSZ-UHFFFAOYSA-N
XLogP3.74
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.74
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

ethane;3-methyl-7-nitro-2H-indazole
CID 143766965
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4-(7-nitro-2H-indazol-3-yl)but-3-enoic acid
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CID 169466269
1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine
CID 65015630
3,4-dichloro-8-nitroquinoline
CID 19592722
2-(4-chlorophenyl)-1-methyl-3-nitrobenzene
CID 139898701
2-(4-tert-butylphenyl)-8-nitro-3H-quinazolin-4-one
CID 172677792
2-[(2-chloro-6-nitrophenyl)methyl]-2-methylbutanoic acid
CID 55243229
2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride
CID 46877419

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine (CID 70911848) is 1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine is CCC(N)(c1ccc(Cl)cc1)c1[nH]nc2c([N+](=O)[O-])cccc12.
What is the InChIKey of 1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine?
The InChIKey is AIDKSZWAJFMFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-2-16(18,10-6-8-11(17)9-7-10)15-12-4-3-5-13(21(22)23)14(12)19-20-15/h3-9H,2,18H2,1H3,(H,19,20).
What are the key properties of 1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine?
1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine has a molecular weight of 330.78 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine is sourced from PubChem (CID 70911848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).