(4S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide

C13H11N5O3 — CID 741319

IUPAC(4S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESC[C@@H]1C(=O)NN=C1C(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C13H11N5O3/c1-6-9(15-17-11(6)19)13(21)18-16-10-7-4-2-3-5-8(7)14-12(10)20/h2-6,14,20H,1H3,(H,17,19)/b18-16+/t6-/m0/s1
InChIKeyLVFGIBMTDJTUQC-YHPAXCGZSA-N
MW285.26 g/mol
LogP1.61
Rot. Bonds2

About (4S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide

(4S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide (PubChem CID 741319) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is (4S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
PubChem CID741319
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name(4S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESC[C@@H]1C(=O)NN=C1C(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C13H11N5O3/c1-6-9(15-17-11(6)19)13(21)18-16-10-7-4-2-3-5-8(7)14-12(10)20/h2-6,14,20H,1H3,(H,17,19)/b18-16+/t6-/m0/s1
InChIKeyLVFGIBMTDJTUQC-YHPAXCGZSA-N
XLogP1.61
TPSA119.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.61
H-Bond Donors ≤ 53
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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Related Compounds

N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide
CID 615744
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate
CID 135794083
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780
N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide
CID 922351
2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide
CID 171983173
N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide
CID 821634
2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide
CID 137274442
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 749764
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 3249407
2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135802167

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The IUPAC name of (4S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide (CID 741319) is (4S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for (4S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for (4S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide is C[C@@H]1C(=O)NN=C1C(=O)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of (4S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The InChIKey is LVFGIBMTDJTUQC-YHPAXCGZSA-N. The full InChI is InChI=1S/C13H11N5O3/c1-6-9(15-17-11(6)19)13(21)18-16-10-7-4-2-3-5-8(7)14-12(10)20/h2-6,14,20H,1H3,(H,17,19)/b18-16+/t6-/m0/s1.
What are the key properties of (4S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
(4S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide has a molecular weight of 285.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 741319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).