(2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide

C14H14N4O2 — CID 25438347

IUPAC(2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C14H14N4O2/c1-10(14(19)16-13-7-8-18(2)17-13)20-12-5-3-11(9-15)4-6-12/h3-8,10H,1-2H3,(H,16,17,19)/t10-/m1/s1
InChIKeyXTRUWBAZQTWWSL-SNVBAGLBSA-N
MW270.29 g/mol
LogP1.70
Rot. Bonds4

About (2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide

(2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 25438347) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID25438347
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name(2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C14H14N4O2/c1-10(14(19)16-13-7-8-18(2)17-13)20-12-5-3-11(9-15)4-6-12/h3-8,10H,1-2H3,(H,16,17,19)/t10-/m1/s1
InChIKeyXTRUWBAZQTWWSL-SNVBAGLBSA-N
XLogP1.70
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 40953055
N-(5-chloro-2-pyridinyl)-2-(4-cyanophenoxy)propanamide
CID 51140376
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 94796234
3-(4-cyanophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 11654366
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide
CID 51096801
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
2-(4-cyanophenoxy)-N-(2-hydroxyphenyl)propanamide
CID 46665197
(2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide
CID 95310417
2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51158907
(2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30866427
2-(4-cyanophenoxy)-N-(3-hydroxy-2-pyridinyl)propanamide
CID 51188816

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide (CID 25438347) is (2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide is C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccn(C)n1.
What is the InChIKey of (2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is XTRUWBAZQTWWSL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-10(14(19)16-13-7-8-18(2)17-13)20-12-5-3-11(9-15)4-6-12/h3-8,10H,1-2H3,(H,16,17,19)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide?
(2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 270.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 25438347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).