N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide

C17H17N5O2 — CID 6888627

IUPACN-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1/C=N/NC(=O)c1cc(-c2cccn2C)n[nH]1
InChIInChI=1S/C17H17N5O2/c1-22-9-5-7-15(22)13-10-14(20-19-13)17(23)21-18-11-12-6-3-4-8-16(12)24-2/h3-11H,1-2H3,(H,19,20)(H,21,23)/b18-11+
InChIKeyOUDNXOPNUCFLIT-WOJGMQOQSA-N
MW323.36 g/mol
LogP2.19
Rot. Bonds5

About N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide

N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 6888627) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID6888627
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1/C=N/NC(=O)c1cc(-c2cccn2C)n[nH]1
InChIInChI=1S/C17H17N5O2/c1-22-9-5-7-15(22)13-10-14(20-19-13)17(23)21-18-11-12-6-3-4-8-16(12)24-2/h3-11H,1-2H3,(H,19,20)(H,21,23)/b18-11+
InChIKeyOUDNXOPNUCFLIT-WOJGMQOQSA-N
XLogP2.19
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-(3-Hydroxybenzylidene)-3-(1-ME-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 5345858
3-(5-Methyl-2-furyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872294
3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9560074
3-(1-Methyl-1H-pyrrol-2-YL)-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide
CID 9564460
N'-(2-HO-3-Meo-benzylidene)-3-(1-ME-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 135497984
N'-(5-BR-2-HO-Benzylidene)-3-(1-ME-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 135547154
N'-[(E,2E)-3-(2-methoxyphenyl)-2-propenylidene]-2-(1-methyl-1H-pyrrol-2-yl)acetohydrazide
CID 6900062
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 57394348
3-(1-methyl-1H-pyrrol-2-yl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide
CID 6306842
(E)-3-(2-((4-methylbenzyl)oxy)phenyl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6866659
N'-[(E)-(4-ethoxyphenyl)methylidene]-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6869471
N-[(E)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 6899793

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (CID 6888627) is N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is COc1ccccc1/C=N/NC(=O)c1cc(-c2cccn2C)n[nH]1.
What is the InChIKey of N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is OUDNXOPNUCFLIT-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-22-9-5-7-15(22)13-10-14(20-19-13)17(23)21-18-11-12-6-3-4-8-16(12)24-2/h3-11H,1-2H3,(H,19,20)(H,21,23)/b18-11+.
What are the key properties of N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6888627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).