N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C17H21N3O3 — CID 110415041

IUPACN-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2n[nH]c3c2CCCC3)cc1
InChIInChI=1S/C17H21N3O3/c1-22-12-6-8-13(9-7-12)23-11-10-18-17(21)16-14-4-2-3-5-15(14)19-20-16/h6-9H,2-5,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyUSWBAZUFGZOLBG-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.11
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110415041) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110415041
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2n[nH]c3c2CCCC3)cc1
InChIInChI=1S/C17H21N3O3/c1-22-12-6-8-13(9-7-12)23-11-10-18-17(21)16-14-4-2-3-5-15(14)19-20-16/h6-9H,2-5,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyUSWBAZUFGZOLBG-UHFFFAOYSA-N
XLogP2.11
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-propan-2-yloxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110610403
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71755173
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71709201
N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112824285
N-[(4-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 3677642
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46921220
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
N-[2-[4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenoxy]ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 126466655
5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46079385
N-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110898774
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 5405927
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110415041) is N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is COc1ccc(OCCNC(=O)c2n[nH]c3c2CCCC3)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is USWBAZUFGZOLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-12-6-8-13(9-7-12)23-11-10-18-17(21)16-14-4-2-3-5-15(14)19-20-16/h6-9H,2-5,10-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110415041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).