3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide

C22H24FN3O2 — CID 51597656

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1F
InChIInChI=1S/C22H24FN3O2/c1-14-10-15(2)26(25-14)13-17-6-5-7-19(11-17)22(27)24-16(3)18-8-9-21(28-4)20(23)12-18/h5-12,16H,13H2,1-4H3,(H,24,27)/t16-/m0/s1
InChIKeyBWSYDTKDMATTFV-INIZCTEOSA-N
MW381.45 g/mol
LogP4.19
Rot. Bonds6

About 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide (PubChem CID 51597656) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
PubChem CID51597656
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1F
InChIInChI=1S/C22H24FN3O2/c1-14-10-15(2)26(25-14)13-17-6-5-7-19(11-17)22(27)24-16(3)18-8-9-21(28-4)20(23)12-18/h5-12,16H,13H2,1-4H3,(H,24,27)/t16-/m0/s1
InChIKeyBWSYDTKDMATTFV-INIZCTEOSA-N
XLogP4.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(methylsulfinylmethyl)benzamide
CID 86914769
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]benzamide
CID 136915025
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 17427065
3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 25438615
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2H-benzotriazole-5-carboxamide
CID 39968315
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 99646890
2-benzyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 46655605
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 86991062
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40953695
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide (CID 51597656) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide is COc1ccc([C@H](C)NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1F.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The InChIKey is BWSYDTKDMATTFV-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-14-10-15(2)26(25-14)13-17-6-5-7-19(11-17)22(27)24-16(3)18-8-9-21(28-4)20(23)12-18/h5-12,16H,13H2,1-4H3,(H,24,27)/t16-/m0/s1.
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide has a molecular weight of 381.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 51597656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).