3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide

C22H18N6O — CID 135954578

IUPAC3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCc1[nH]c2ccccc2c1/C=N\NC(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C22H18N6O/c1-13-16(14-6-3-5-9-19(14)25-13)12-24-28-22(29)21-10-20(26-27-21)17-11-23-18-8-4-2-7-15(17)18/h2-12,23,25H,1H3,(H,26,27)(H,28,29)/b24-12-
InChIKeyOFOYVPFFZHQQJQ-MSXFZWOLSA-N
MW382.43 g/mol
LogP4.11
Rot. Bonds4

About 3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide

3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 135954578) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID135954578
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCc1[nH]c2ccccc2c1/C=N\NC(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C22H18N6O/c1-13-16(14-6-3-5-9-19(14)25-13)12-24-28-22(29)21-10-20(26-27-21)17-11-23-18-8-4-2-7-15(17)18/h2-12,23,25H,1H3,(H,26,27)(H,28,29)/b24-12-
InChIKeyOFOYVPFFZHQQJQ-MSXFZWOLSA-N
XLogP4.11
TPSA101.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dichlorophenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136915483
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 135679725
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 3431156
3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136820467
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 136915601
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 136852027
3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136852030
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 696541
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 135421558
3-hydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135490389
2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135421610

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 135954578) is 3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide is Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is OFOYVPFFZHQQJQ-MSXFZWOLSA-N. The full InChI is InChI=1S/C22H18N6O/c1-13-16(14-6-3-5-9-19(14)25-13)12-24-28-22(29)21-10-20(26-27-21)17-11-23-18-8-4-2-7-15(17)18/h2-12,23,25H,1H3,(H,26,27)(H,28,29)/b24-12-.
What are the key properties of 3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide?
3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 4.11, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135954578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).