3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide

C19H25N3O4 — CID 90613866

IUPAC3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCn2ncc3c2CCCC3)cc(OC)c1OC
InChIInChI=1S/C19H25N3O4/c1-24-16-10-14(11-17(25-2)18(16)26-3)19(23)20-8-9-22-15-7-5-4-6-13(15)12-21-22/h10-12H,4-9H2,1-3H3,(H,20,23)
InChIKeyZRXSDYGPMXRNNS-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.22
Rot. Bonds7

About 3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide

3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide (PubChem CID 90613866) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
PubChem CID90613866
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCn2ncc3c2CCCC3)cc(OC)c1OC
InChIInChI=1S/C19H25N3O4/c1-24-16-10-14(11-17(25-2)18(16)26-3)19(23)20-8-9-22-15-7-5-4-6-13(15)12-21-22/h10-12H,4-9H2,1-3H3,(H,20,23)
InChIKeyZRXSDYGPMXRNNS-UHFFFAOYSA-N
XLogP2.22
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613816
2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613867
3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide
CID 90613755
4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613849
2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
CID 90613712
2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
CID 90613700
2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613758
2,4-dichloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613838
N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 51696258
4-methoxy-3,5-dimethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613986
3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60568762
3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99702429

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide (CID 90613866) is 3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide is COc1cc(C(=O)NCCn2ncc3c2CCCC3)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The InChIKey is ZRXSDYGPMXRNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-24-16-10-14(11-17(25-2)18(16)26-3)19(23)20-8-9-22-15-7-5-4-6-13(15)12-21-22/h10-12H,4-9H2,1-3H3,(H,20,23).
What are the key properties of 3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide has a molecular weight of 359.43 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90613866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).