(2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide

C13H12N4O2 — CID 93045041

IUPAC(2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide
SMILESC[C@@H](Oc1ccccc1C#N)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C13H12N4O2/c1-9(13(18)17-11-7-15-16-8-11)19-12-5-3-2-4-10(12)6-14/h2-5,7-9H,1H3,(H,15,16)(H,17,18)/t9-/m1/s1
InChIKeyNNDNUJPMHKMCIL-SECBINFHSA-N
MW256.27 g/mol
LogP1.69
Rot. Bonds4

About (2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide

(2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 93045041) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is (2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide
PubChem CID93045041
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name(2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide
SMILESC[C@@H](Oc1ccccc1C#N)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C13H12N4O2/c1-9(13(18)17-11-7-15-16-8-11)19-12-5-3-2-4-10(12)6-14/h2-5,7-9H,1H3,(H,15,16)(H,17,18)/t9-/m1/s1
InChIKeyNNDNUJPMHKMCIL-SECBINFHSA-N
XLogP1.69
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309
N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide
CID 46596655
2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103716433
2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 55597385
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
3-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540584
N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 55598715
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876
ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate
CID 46596294
2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 55597894
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of (2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide (CID 93045041) is (2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide is C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cn[nH]c1.
What is the InChIKey of (2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is NNDNUJPMHKMCIL-SECBINFHSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-9(13(18)17-11-7-15-16-8-11)19-12-5-3-2-4-10(12)6-14/h2-5,7-9H,1H3,(H,15,16)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide?
(2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 256.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 93045041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).