3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

C16H21N3O3 — CID 19282242

IUPAC3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C16H21N3O3/c1-10-15(11(2)19(3)18-10)9-17-16(20)12-6-13(21-4)8-14(7-12)22-5/h6-8H,9H2,1-5H3,(H,17,20)
InChIKeyBSLZYFHWDZWSCF-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.98
Rot. Bonds5

About 3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 19282242) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
PubChem CID19282242
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C16H21N3O3/c1-10-15(11(2)19(3)18-10)9-17-16(20)12-6-13(21-4)8-14(7-12)22-5/h6-8H,9H2,1-5H3,(H,17,20)
InChIKeyBSLZYFHWDZWSCF-UHFFFAOYSA-N
XLogP1.98
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768030
4-amino-3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 104783069
2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 110731154
2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 79036395
4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79036409
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
5-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 79038700
3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 110446006
5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 79036410
4-methoxy-N-[2-[[N'-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111952258
4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 110444483
3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide
CID 100680232

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (CID 19282242) is 3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is COc1cc(OC)cc(C(=O)NCc2c(C)nn(C)c2C)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is BSLZYFHWDZWSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-15(11(2)19(3)18-10)9-17-16(20)12-6-13(21-4)8-14(7-12)22-5/h6-8H,9H2,1-5H3,(H,17,20).
What are the key properties of 3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 303.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 19282242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).