(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H20N4O3 — CID 27909199

IUPAC(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C17H20N4O3/c1-10-16(11(2)21(4)20-10)19-17(22)12(3)24-14-7-6-13(9-18)8-15(14)23-5/h6-8,12H,1-5H3,(H,19,22)/t12-/m0/s1
InChIKeyVDYNMEMCBUOHEU-LBPRGKRZSA-N
MW328.37 g/mol
LogP2.32
Rot. Bonds5

About (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 27909199) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID27909199
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C17H20N4O3/c1-10-16(11(2)21(4)20-10)19-17(22)12(3)24-14-7-6-13(9-18)8-15(14)23-5/h6-8,12H,1-5H3,(H,19,22)/t12-/m0/s1
InChIKeyVDYNMEMCBUOHEU-LBPRGKRZSA-N
XLogP2.32
TPSA89.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 7757378
(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757420
N-(3-chloro-4-methoxyphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 55422385
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 51545374
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2,4,5-trimethoxybenzoate
CID 8650363
(2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757274
(2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 8978416
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide
CID 8978421
2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide
CID 43112207
2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112203
N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104849120
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-cyclopentylpropanamide
CID 7757383

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 27909199) is (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is VDYNMEMCBUOHEU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-10-16(11(2)21(4)20-10)19-17(22)12(3)24-14-7-6-13(9-18)8-15(14)23-5/h6-8,12H,1-5H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 328.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 27909199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).