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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).