3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide

C15H19N3O4 — CID 30899209

IUPAC3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccnn2C)cc(OC)c1OC
InChIInChI=1S/C15H19N3O4/c1-18-11(5-6-17-18)9-16-15(19)10-7-12(20-2)14(22-4)13(8-10)21-3/h5-8H,9H2,1-4H3,(H,16,19)
InChIKeyIOKOXHRWBDZEIX-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.38
Rot. Bonds6

About 3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide

3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 30899209) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID30899209
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccnn2C)cc(OC)c1OC
InChIInChI=1S/C15H19N3O4/c1-18-11(5-6-17-18)9-16-15(19)10-7-12(20-2)14(22-4)13(8-10)21-3/h5-8H,9H2,1-4H3,(H,16,19)
InChIKeyIOKOXHRWBDZEIX-UHFFFAOYSA-N
XLogP1.38
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304703
4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 82794631
3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60568762
3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 103826536
N-[(2-ethylpyrazol-3-yl)methyl]-3,4-dimethoxybenzamide
CID 19294681
3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304139
(2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 114972609
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63303526
4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292553

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 30899209) is 3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide is COc1cc(C(=O)NCc2ccnn2C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is IOKOXHRWBDZEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-18-11(5-6-17-18)9-16-15(19)10-7-12(20-2)14(22-4)13(8-10)21-3/h5-8H,9H2,1-4H3,(H,16,19).
What are the key properties of 3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 305.33 g/mol, XLogP of 1.38, 6 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-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 30899209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).