2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide

C17H23N3O2 — CID 95898801

IUPAC2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1OC)c1c(C)nn(C)c1C
InChIInChI=1S/C17H23N3O2/c1-6-14(16-11(2)19-20(4)12(16)3)18-17(21)13-9-7-8-10-15(13)22-5/h7-10,14H,6H2,1-5H3,(H,18,21)/t14-/m0/s1
InChIKeyXFGLJHCKEAGLQI-AWEZNQCLSA-N
MW301.39 g/mol
LogP2.93
Rot. Bonds5

About 2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide

2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide (PubChem CID 95898801) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
PubChem CID95898801
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1OC)c1c(C)nn(C)c1C
InChIInChI=1S/C17H23N3O2/c1-6-14(16-11(2)19-20(4)12(16)3)18-17(21)13-9-7-8-10-15(13)22-5/h7-10,14H,6H2,1-5H3,(H,18,21)/t14-/m0/s1
InChIKeyXFGLJHCKEAGLQI-AWEZNQCLSA-N
XLogP2.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-nitro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 99790565
3-(3-hydroxy-4-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide
CID 127265718
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide
CID 99855977
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide
CID 47052132
N-butan-2-yl-2-methoxybenzamide
CID 3117660
N-(1-aminobutan-2-yl)-2-methoxybenzamide
CID 63753352
2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide
CID 120991191
(2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94796021
4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 91776202
2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide
CID 38839315
2-ethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393618
2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide
CID 86789477

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide (CID 95898801) is 2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide is CC[C@H](NC(=O)c1ccccc1OC)c1c(C)nn(C)c1C.
What is the InChIKey of 2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide?
The InChIKey is XFGLJHCKEAGLQI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-6-14(16-11(2)19-20(4)12(16)3)18-17(21)13-9-7-8-10-15(13)22-5/h7-10,14H,6H2,1-5H3,(H,18,21)/t14-/m0/s1.
What are the key properties of 2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide?
2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide has a molecular weight of 301.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 95898801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).