4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide

C20H27N5O3 — CID 158879158

IUPAC4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCCNCCOc1ccc(NC(=O)c2n[nH]c3c2C(=NOC)CCC3)cc1
InChIInChI=1S/C20H27N5O3/c1-3-11-21-12-13-28-15-9-7-14(8-10-15)22-20(26)19-18-16(23-24-19)5-4-6-17(18)25-27-2/h7-10,21H,3-6,11-13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyJCUXPUFBPMVXIO-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.73
Rot. Bonds9

About 4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide

4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 158879158) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID158879158
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCCNCCOc1ccc(NC(=O)c2n[nH]c3c2C(=NOC)CCC3)cc1
InChIInChI=1S/C20H27N5O3/c1-3-11-21-12-13-28-15-9-7-14(8-10-15)22-20(26)19-18-16(23-24-19)5-4-6-17(18)25-27-2/h7-10,21H,3-6,11-13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyJCUXPUFBPMVXIO-UHFFFAOYSA-N
XLogP2.73
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388915
N-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide
CID 140523209
tert-butyl N-[4-[2-(propylamino)ethoxy]phenyl]carbamate
CID 107243405
N-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide
CID 90973263
N-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindazole-3-carboxamide
CID 10155272
N-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide
CID 18368353
methyl-N-[2-[4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]phenoxy]ethyl]-N-propylboronamidic acid
CID 59917848
N-[4-[2-(ethylamino)ethoxy]phenyl]acetamide
CID 103074267
4-methyl-N-(4-pentoxyphenyl)-5-thia-3,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene-13-carboxamide
CID 91400095
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 60758701
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine
CID 28879106

Frequently Asked Questions

What is the IUPAC name of 4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide (CID 158879158) is 4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide is CCCNCCOc1ccc(NC(=O)c2n[nH]c3c2C(=NOC)CCC3)cc1.
What is the InChIKey of 4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is JCUXPUFBPMVXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-3-11-21-12-13-28-15-9-7-14(8-10-15)22-20(26)19-18-16(23-24-19)5-4-6-17(18)25-27-2/h7-10,21H,3-6,11-13H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of 4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide?
4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 2.73, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 158879158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).