N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethylpyrazol-1-yl)propanamide

C16H16BrN5O2 — CID 1384389

IUPACN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)n1
InChIInChI=1S/C16H16BrN5O2/c1-9-7-10(2)22(21-9)6-5-14(23)19-20-15-12-8-11(17)3-4-13(12)18-16(15)24/h3-4,7-8,18,24H,5-6H2,1-2H3/b20-19+
InChIKeyDGGCLIZYLJYSHZ-FMQUCBEESA-N
MW390.24 g/mol
LogP4.15
Rot. Bonds4

About N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 1384389) has the molecular formula C16H16BrN5O2 and a molecular weight of 390.24 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID1384389
Molecular FormulaC16H16BrN5O2
Molecular Weight390.24 g/mol
Exact Mass389.05
IUPAC NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)n1
InChIInChI=1S/C16H16BrN5O2/c1-9-7-10(2)22(21-9)6-5-14(23)19-20-15-12-8-11(17)3-4-13(12)18-16(15)24/h3-4,7-8,18,24H,5-6H2,1-2H3/b20-19+
InChIKeyDGGCLIZYLJYSHZ-FMQUCBEESA-N
XLogP4.15
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 1384389) is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(CCC(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)n1.
What is the InChIKey of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is DGGCLIZYLJYSHZ-FMQUCBEESA-N. The full InChI is InChI=1S/C16H16BrN5O2/c1-9-7-10(2)22(21-9)6-5-14(23)19-20-15-12-8-11(17)3-4-13(12)18-16(15)24/h3-4,7-8,18,24H,5-6H2,1-2H3/b20-19+.
What are the key properties of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 390.24 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 1384389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).