3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C15H19N3O4 — CID 60568762

IUPAC3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cnn(C)c2)cc(OC)c1OC
InChIInChI=1S/C15H19N3O4/c1-18-9-10(8-17-18)7-16-15(19)11-5-12(20-2)14(22-4)13(6-11)21-3/h5-6,8-9H,7H2,1-4H3,(H,16,19)
InChIKeyZDHISJWGDZZRRA-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.38
Rot. Bonds6

About 3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide

3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 60568762) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID60568762
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cnn(C)c2)cc(OC)c1OC
InChIInChI=1S/C15H19N3O4/c1-18-9-10(8-17-18)7-16-15(19)11-5-12(20-2)14(22-4)13(6-11)21-3/h5-6,8-9H,7H2,1-4H3,(H,16,19)
InChIKeyZDHISJWGDZZRRA-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

1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292350
3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 30899209
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 63861037
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 78865045
3-amino-4,5-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61349240
N-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
CID 19292392
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 17485942
4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355
3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 113434699

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 60568762) is 3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide is COc1cc(C(=O)NCc2cnn(C)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is ZDHISJWGDZZRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-18-9-10(8-17-18)7-16-15(19)11-5-12(20-2)14(22-4)13(6-11)21-3/h5-6,8-9H,7H2,1-4H3,(H,16,19).
What are the key properties of 3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3,4,5-trimethoxy-N-[(1-methylpyrazol-4-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-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 60568762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).