N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C15H12BrN5O2 — CID 1356481

IUPACN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1n[nH]c2c1CCC2
InChIInChI=1S/C15H12BrN5O2/c16-7-4-5-10-9(6-7)13(14(22)17-10)20-21-15(23)12-8-2-1-3-11(8)18-19-12/h4-6,17,22H,1-3H2,(H,18,19)/b21-20+
InChIKeyUHENVAMFPQZUDH-QZQOTICOSA-N
MW374.20 g/mol
LogP3.77
Rot. Bonds2

About N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 1356481) has the molecular formula C15H12BrN5O2 and a molecular weight of 374.20 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID1356481
Molecular FormulaC15H12BrN5O2
Molecular Weight374.20 g/mol
Exact Mass373.02
IUPAC NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1n[nH]c2c1CCC2
InChIInChI=1S/C15H12BrN5O2/c16-7-4-5-10-9(6-7)13(14(22)17-10)20-21-15(23)12-8-2-1-3-11(8)18-19-12/h4-6,17,22H,1-3H2,(H,18,19)/b21-20+
InChIKeyUHENVAMFPQZUDH-QZQOTICOSA-N
XLogP3.77
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.20
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N'-(5-bromo-2-oxoindolin-3-ylidene)-3-(naphthalen-1-yl)-1H-pyrazole-5-carbohydrazide
CID 1420694
4-methyl-N'-[(3E)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 4153222
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 137028503
3-(3,5-Dimethyl-pyrazol-1-yl)-propionic acid (5-bromo-2-oxo-1,2-dihydro-indol-3-ylidene)-hydrazide
CID 1384389
3-(4-fluorophenyl)-N''-(2-ketoindol-3-yl)-1H-pyrazole-5-carbohydrazide
CID 745012
N-(5-Bromo-2-oxo-1,2-dihydro-indol-3-ylidene-hydrazinocarbonylmethyl)-benzamide
CID 1098345
(E)-N'-(2-oxoindolin-3-ylidene)-3-(p-tolyl)-1H-pyrazole-5-carbohydrazide
CID 744893
3-bromo-N'-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)benzohydrazide
CID 749764
3-bromo-N'-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)benzohydrazide
CID 1034759
4-(Aminomethyl)-N'-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]benzohydrazide
CID 2455709
N'-[(3Z)-5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-3-fluorobenzohydrazide
CID 3283678
3-((5-BR-2-Oxo-1,2-dihydro-indol-3-ylidene-hydrazinooxalyl)-amino)-benzoic acid
CID 3907830

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 1356481) is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is UHENVAMFPQZUDH-QZQOTICOSA-N. The full InChI is InChI=1S/C15H12BrN5O2/c16-7-4-5-10-9(6-7)13(14(22)17-10)20-21-15(23)12-8-2-1-3-11(8)18-19-12/h4-6,17,22H,1-3H2,(H,18,19)/b21-20+.
What are the key properties of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 374.20 g/mol, XLogP of 3.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 1356481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).