N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-indazole-7-carboxamide

C20H23N3O3 — CID 55846417

IUPACN-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-indazole-7-carboxamide
SMILESCCCOc1ccc(C(C)NC(=O)c2cccc3cn[nH]c23)cc1OC
InChIInChI=1S/C20H23N3O3/c1-4-10-26-17-9-8-14(11-18(17)25-3)13(2)22-20(24)16-7-5-6-15-12-21-23-19(15)16/h5-9,11-13H,4,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyOQOCWEUSIGXIDE-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.85
Rot. Bonds7

About N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-indazole-7-carboxamide

N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-indazole-7-carboxamide (PubChem CID 55846417) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-indazole-7-carboxamide
PubChem CID55846417
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-indazole-7-carboxamide
SMILESCCCOc1ccc(C(C)NC(=O)c2cccc3cn[nH]c23)cc1OC
InChIInChI=1S/C20H23N3O3/c1-4-10-26-17-9-8-14(11-18(17)25-3)13(2)22-20(24)16-7-5-6-15-12-21-23-19(15)16/h5-9,11-13H,4,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyOQOCWEUSIGXIDE-UHFFFAOYSA-N
XLogP3.85
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide
CID 46417867
2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 55845776
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
CID 55748194
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75461339
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
CID 46416040
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-nitrobenzamide
CID 46657865
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
2-iodo-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-5-nitrobenzamide
CID 55785975
5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide
CID 78882069
N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
CID 46807320
2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351
2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55747175

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-indazole-7-carboxamide (CID 55846417) is N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-indazole-7-carboxamide is CCCOc1ccc(C(C)NC(=O)c2cccc3cn[nH]c23)cc1OC.
What is the InChIKey of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-indazole-7-carboxamide?
The InChIKey is OQOCWEUSIGXIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-10-26-17-9-8-14(11-18(17)25-3)13(2)22-20(24)16-7-5-6-15-12-21-23-19(15)16/h5-9,11-13H,4,10H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-indazole-7-carboxamide?
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-indazole-7-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 55846417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).