(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide

C17H23N3O2 — CID 100819736

IUPAC(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
SMILESCc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)NCC(C)C
InChIInChI=1S/C17H23N3O2/c1-12(2)10-18-16(21)14(4)22-17-13(3)11-20(19-17)15-8-6-5-7-9-15/h5-9,11-12,14H,10H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyBNBZASLTJQSLOC-AWEZNQCLSA-N
MW301.39 g/mol
LogP2.72
Rot. Bonds6

About (2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide

(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide (PubChem CID 100819736) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
PubChem CID100819736
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
SMILESCc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)NCC(C)C
InChIInChI=1S/C17H23N3O2/c1-12(2)10-18-16(21)14(4)22-17-13(3)11-20(19-17)15-8-6-5-7-9-15/h5-9,11-12,14H,10H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyBNBZASLTJQSLOC-AWEZNQCLSA-N
XLogP2.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 102552852
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 100830030
(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100819734
(2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 100819764
N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 102552868
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 110210593
(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-pyridin-2-ylpropanamide
CID 100819781
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 102552878
3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
CID 100819794
(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide
CID 100829357
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide
CID 110210597
(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide
CID 100829260

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide?
The IUPAC name of (2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide (CID 100819736) is (2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide is Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)NCC(C)C.
What is the InChIKey of (2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide?
The InChIKey is BNBZASLTJQSLOC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)10-18-16(21)14(4)22-17-13(3)11-20(19-17)15-8-6-5-7-9-15/h5-9,11-12,14H,10H2,1-4H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide?
(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 100819736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).