N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrazol-1-ylbenzamide

C20H19N3O4 — CID 70716972

IUPACN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrazol-1-ylbenzamide
SMILESCOc1cc2c(cc1CNC(=O)c1cccc(-n3cccn3)c1)OCCO2
InChIInChI=1S/C20H19N3O4/c1-25-17-12-19-18(26-8-9-27-19)11-15(17)13-21-20(24)14-4-2-5-16(10-14)23-7-3-6-22-23/h2-7,10-12H,8-9,13H2,1H3,(H,21,24)
InChIKeyCPLSTXKJTVLICD-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.58
Rot. Bonds5

About N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrazol-1-ylbenzamide

N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrazol-1-ylbenzamide (PubChem CID 70716972) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrazol-1-ylbenzamide
PubChem CID70716972
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrazol-1-ylbenzamide
SMILESCOc1cc2c(cc1CNC(=O)c1cccc(-n3cccn3)c1)OCCO2
InChIInChI=1S/C20H19N3O4/c1-25-17-12-19-18(26-8-9-27-19)11-15(17)13-21-20(24)14-4-2-5-16(10-14)23-7-3-6-22-23/h2-7,10-12H,8-9,13H2,1H3,(H,21,24)
InChIKeyCPLSTXKJTVLICD-UHFFFAOYSA-N
XLogP2.58
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 118782597
N-(4-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698189
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
N-(3-pyrazol-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 28809956
N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698188
N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 122263530
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide
CID 131925589
3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195995
5-methoxy-N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 39460731
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 50954392

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrazol-1-ylbenzamide (CID 70716972) is N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrazol-1-ylbenzamide is COc1cc2c(cc1CNC(=O)c1cccc(-n3cccn3)c1)OCCO2.
What is the InChIKey of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is CPLSTXKJTVLICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-25-17-12-19-18(26-8-9-27-19)11-15(17)13-21-20(24)14-4-2-5-16(10-14)23-7-3-6-22-23/h2-7,10-12H,8-9,13H2,1H3,(H,21,24).
What are the key properties of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrazol-1-ylbenzamide?
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 365.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 70716972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).