3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide

C20H22N4O2 — CID 71914773

IUPAC3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide
SMILESCC(CNC(=O)c1cccc(Nc2cnn(C)c2)c1)Oc1ccccc1
InChIInChI=1S/C20H22N4O2/c1-15(26-19-9-4-3-5-10-19)12-21-20(25)16-7-6-8-17(11-16)23-18-13-22-24(2)14-18/h3-11,13-15,23H,12H2,1-2H3,(H,21,25)
InChIKeyYICMPNTYSJZLIU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.36
Rot. Bonds7

About 3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide

3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide (PubChem CID 71914773) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide
PubChem CID71914773
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide
SMILESCC(CNC(=O)c1cccc(Nc2cnn(C)c2)c1)Oc1ccccc1
InChIInChI=1S/C20H22N4O2/c1-15(26-19-9-4-3-5-10-19)12-21-20(25)16-7-6-8-17(11-16)23-18-13-22-24(2)14-18/h3-11,13-15,23H,12H2,1-2H3,(H,21,25)
InChIKeyYICMPNTYSJZLIU-UHFFFAOYSA-N
XLogP3.36
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
CID 82536724
benzyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71846936
1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71906087
4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide
CID 45174095
N-(2-methylpropyl)-3-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 976970
N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide
CID 75387829
N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 110486267
2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 106107325
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269
3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide
CID 125445501
N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 71993780
N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 95130947

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide (CID 71914773) is 3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide is CC(CNC(=O)c1cccc(Nc2cnn(C)c2)c1)Oc1ccccc1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide?
The InChIKey is YICMPNTYSJZLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15(26-19-9-4-3-5-10-19)12-21-20(25)16-7-6-8-17(11-16)23-18-13-22-24(2)14-18/h3-11,13-15,23H,12H2,1-2H3,(H,21,25).
What are the key properties of 3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide?
3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide is sourced from PubChem (CID 71914773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).