N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide

C18H23N3O4 — CID 51248488

IUPACN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide
SMILESCOc1cccc(Cn2nccc2NC(=O)C2CCOCC2)c1OC
InChIInChI=1S/C18H23N3O4/c1-23-15-5-3-4-14(17(15)24-2)12-21-16(6-9-19-21)20-18(22)13-7-10-25-11-8-13/h3-6,9,13H,7-8,10-12H2,1-2H3,(H,20,22)
InChIKeyXZPAXUNNIUAMBX-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.31
Rot. Bonds6

About N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide (PubChem CID 51248488) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide
PubChem CID51248488
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide
SMILESCOc1cccc(Cn2nccc2NC(=O)C2CCOCC2)c1OC
InChIInChI=1S/C18H23N3O4/c1-23-15-5-3-4-14(17(15)24-2)12-21-16(6-9-19-21)20-18(22)13-7-10-25-11-8-13/h3-6,9,13H,7-8,10-12H2,1-2H3,(H,20,22)
InChIKeyXZPAXUNNIUAMBX-UHFFFAOYSA-N
XLogP2.31
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide (CID 51248488) is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide is COc1cccc(Cn2nccc2NC(=O)C2CCOCC2)c1OC.
What is the InChIKey of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide?
The InChIKey is XZPAXUNNIUAMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-23-15-5-3-4-14(17(15)24-2)12-21-16(6-9-19-21)20-18(22)13-7-10-25-11-8-13/h3-6,9,13H,7-8,10-12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide?
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 51248488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).