N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide

C25H31N3O6 — CID 55435038

IUPACN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)cc(OCC)c1OCC
InChIInChI=1S/C25H31N3O6/c1-6-32-20-14-18(15-21(33-7-2)24(20)34-8-3)25(29)27-22-12-13-26-28(22)16-17-10-9-11-19(30-4)23(17)31-5/h9-15H,6-8,16H2,1-5H3,(H,27,29)
InChIKeyFNQMINUPMJTVAP-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.40
Rot. Bonds12

About N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide (PubChem CID 55435038) has the molecular formula C25H31N3O6 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide
PubChem CID55435038
Molecular FormulaC25H31N3O6
Molecular Weight469.54 g/mol
Exact Mass469.22
IUPAC NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)cc(OCC)c1OCC
InChIInChI=1S/C25H31N3O6/c1-6-32-20-14-18(15-21(33-7-2)24(20)34-8-3)25(29)27-22-12-13-26-28(22)16-17-10-9-11-19(30-4)23(17)31-5/h9-15H,6-8,16H2,1-5H3,(H,27,29)
InChIKeyFNQMINUPMJTVAP-UHFFFAOYSA-N
XLogP4.40
TPSA93.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide
CID 26470200
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 78820639
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-phenoxybenzamide
CID 52523207
3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide
CID 18096334
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(2-ethylphenoxy)acetamide
CID 51248455
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-[(3-methylphenyl)methoxy]benzamide
CID 52554971
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 51248422
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 43033841
2-(2,4-dimethoxyphenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 55434840
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 51248461
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55461115
2-cyclopentyl-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 51248440

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide (CID 55435038) is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)cc(OCC)c1OCC.
What is the InChIKey of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide?
The InChIKey is FNQMINUPMJTVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O6/c1-6-32-20-14-18(15-21(33-7-2)24(20)34-8-3)25(29)27-22-12-13-26-28(22)16-17-10-9-11-19(30-4)23(17)31-5/h9-15H,6-8,16H2,1-5H3,(H,27,29).
What are the key properties of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide?
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide has a molecular weight of 469.54 g/mol, XLogP of 4.40, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 55435038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).