N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide

C18H19N5O2 — CID 6869471

IUPACN-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cc(-c3cccn3C)n[nH]2)cc1
InChIInChI=1S/C18H19N5O2/c1-3-25-14-8-6-13(7-9-14)12-19-22-18(24)16-11-15(20-21-16)17-5-4-10-23(17)2/h4-12H,3H2,1-2H3,(H,20,21)(H,22,24)/b19-12+
InChIKeyIERILKICDONPGB-XDHOZWIPSA-N
MW337.38 g/mol
LogP2.58
Rot. Bonds6

About N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide

N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 6869471) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID6869471
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cc(-c3cccn3C)n[nH]2)cc1
InChIInChI=1S/C18H19N5O2/c1-3-25-14-8-6-13(7-9-14)12-19-22-18(24)16-11-15(20-21-16)17-5-4-10-23(17)2/h4-12H,3H2,1-2H3,(H,20,21)(H,22,24)/b19-12+
InChIKeyIERILKICDONPGB-XDHOZWIPSA-N
XLogP2.58
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.58
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)-(4-ethoxyphenyl)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)-(4-ethoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (CID 6869471) is N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is CCOc1ccc(/C=N/NC(=O)c2cc(-c3cccn3C)n[nH]2)cc1.
What is the InChIKey of N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is IERILKICDONPGB-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-3-25-14-8-6-13(7-9-14)12-19-22-18(24)16-11-15(20-21-16)17-5-4-10-23(17)2/h4-12H,3H2,1-2H3,(H,20,21)(H,22,24)/b19-12+.
What are the key properties of N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6869471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).