4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide

C16H21N3O2 — CID 47082147

IUPAC4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H21N3O2/c1-10(15-11(2)18-19(4)12(15)3)17-16(20)13-6-8-14(21-5)9-7-13/h6-10H,1-5H3,(H,17,20)
InChIKeyXZZWLAPSSOLNQF-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.54
Rot. Bonds4

About 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide

4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide (PubChem CID 47082147) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
PubChem CID47082147
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H21N3O2/c1-10(15-11(2)18-19(4)12(15)3)17-16(20)13-6-8-14(21-5)9-7-13/h6-10H,1-5H3,(H,17,20)
InChIKeyXZZWLAPSSOLNQF-UHFFFAOYSA-N
XLogP2.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tolfenpyrad
CID 10110536
(4-Bromo-3,5-dimethylpyrazol-1-yl)(4-methoxyphenyl)methanone
CID 714833
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498
N-cyclopropyl-5-(4-methoxybenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 3780243
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
Benzo[1,3]dioxole-5-carboxylic acid [2-(3,5-dimethyl-pyrazol-1-yl)-propyl]-amide
CID 6499837
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
CID 658803
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide
CID 658976
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-methoxyphenyl)methyl]butanamide
CID 20919914
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
1-Cyclohexyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884916
1-Benzyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884917

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide (CID 47082147) is 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide is COc1ccc(C(=O)NC(C)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is XZZWLAPSSOLNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(15-11(2)18-19(4)12(15)3)17-16(20)13-6-8-14(21-5)9-7-13/h6-10H,1-5H3,(H,17,20).
What are the key properties of 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 287.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 47082147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).