3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide

C20H20N4O3 — CID 100819794

IUPAC3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
SMILESCc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C20H20N4O3/c1-13-12-24(17-9-4-3-5-10-17)23-20(13)27-14(2)19(26)22-16-8-6-7-15(11-16)18(21)25/h3-12,14H,1-2H3,(H2,21,25)(H,22,26)/t14-/m0/s1
InChIKeyXAGCQKRLHINUJM-AWEZNQCLSA-N
MW364.41 g/mol
LogP2.69
Rot. Bonds6

About 3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide

3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide (PubChem CID 100819794) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
PubChem CID100819794
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
SMILESCc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C20H20N4O3/c1-13-12-24(17-9-4-3-5-10-17)23-20(13)27-14(2)19(26)22-16-8-6-7-15(11-16)18(21)25/h3-12,14H,1-2H3,(H2,21,25)(H,22,26)/t14-/m0/s1
InChIKeyXAGCQKRLHINUJM-AWEZNQCLSA-N
XLogP2.69
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
CID 100819977
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 102552878
(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-pyridin-2-ylpropanamide
CID 100819781
(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
CID 100819808
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 102552852
(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 100819736
(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100819734
(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide
CID 100830093
3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide
CID 95706030
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide
CID 53288806
N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 102552868
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-pyridin-3-ylpropanamide
CID 102567180

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide?
The IUPAC name of 3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide (CID 100819794) is 3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide.
What is the SMILES notation for 3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide?
The canonical SMILES for 3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide is Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide?
The InChIKey is XAGCQKRLHINUJM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-12-24(17-9-4-3-5-10-17)23-20(13)27-14(2)19(26)22-16-8-6-7-15(11-16)18(21)25/h3-12,14H,1-2H3,(H2,21,25)(H,22,26)/t14-/m0/s1.
What are the key properties of 3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide?
3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide has a molecular weight of 364.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide is sourced from PubChem (CID 100819794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).