3,5-dimethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide

C17H21N3O4 — CID 71808483

IUPAC3,5-dimethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2nn(C)c3c2COCC3)c1
InChIInChI=1S/C17H21N3O4/c1-20-16-4-5-24-10-14(16)15(19-20)9-18-17(21)11-6-12(22-2)8-13(7-11)23-3/h6-8H,4-5,9-10H2,1-3H3,(H,18,21)
InChIKeyJMZDKQRKDHBGFD-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.44
Rot. Bonds5

About 3,5-dimethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide

3,5-dimethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide (PubChem CID 71808483) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide
PubChem CID71808483
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name3,5-dimethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2nn(C)c3c2COCC3)c1
InChIInChI=1S/C17H21N3O4/c1-20-16-4-5-24-10-14(16)15(19-20)9-18-17(21)11-6-12(22-2)8-13(7-11)23-3/h6-8H,4-5,9-10H2,1-3H3,(H,18,21)
InChIKeyJMZDKQRKDHBGFD-UHFFFAOYSA-N
XLogP1.44
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide (CID 71808483) is 3,5-dimethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide is COc1cc(OC)cc(C(=O)NCc2nn(C)c3c2COCC3)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide?
The InChIKey is JMZDKQRKDHBGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-20-16-4-5-24-10-14(16)15(19-20)9-18-17(21)11-6-12(22-2)8-13(7-11)23-3/h6-8H,4-5,9-10H2,1-3H3,(H,18,21).
What are the key properties of 3,5-dimethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide?
3,5-dimethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide has a molecular weight of 331.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 71808483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).