3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C22H25N3O2 — CID 35955984

IUPAC3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCC(C)COc1cccc(C(=O)NCc2ccccc2Cn2cccn2)c1
InChIInChI=1S/C22H25N3O2/c1-17(2)16-27-21-10-5-9-18(13-21)22(26)23-14-19-7-3-4-8-20(19)15-25-12-6-11-24-25/h3-13,17H,14-16H2,1-2H3,(H,23,26)
InChIKeyPTFNFSUHLFTJNO-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.90
Rot. Bonds8

About 3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 35955984) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID35955984
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCC(C)COc1cccc(C(=O)NCc2ccccc2Cn2cccn2)c1
InChIInChI=1S/C22H25N3O2/c1-17(2)16-27-21-10-5-9-18(13-21)22(26)23-14-19-7-3-4-8-20(19)15-25-12-6-11-24-25/h3-13,17H,14-16H2,1-2H3,(H,23,26)
InChIKeyPTFNFSUHLFTJNO-UHFFFAOYSA-N
XLogP3.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-1H-pyrazol-4-yl)-3-ethoxybenzamide
CID 1223790
N-{4-[2-(2-Hydroxyethylamino)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-methoxybenzamide
CID 24889531
N-(4-(2-aminoethoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)-3-methoxybenzamide
CID 46833678
3-[2-(2-methoxyphenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67305655
3-[2-(4-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67305810
3-[2-(2,4-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67306982
3-[2-(2-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67307127
3-[(E)-2-(2-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540510
3-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540511
3-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540610
3-[(E)-2-(2,5-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540611
3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540612

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 35955984) is 3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is CC(C)COc1cccc(C(=O)NCc2ccccc2Cn2cccn2)c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is PTFNFSUHLFTJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17(2)16-27-21-10-5-9-18(13-21)22(26)23-14-19-7-3-4-8-20(19)15-25-12-6-11-24-25/h3-13,17H,14-16H2,1-2H3,(H,23,26).
What are the key properties of 3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 35955984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).