(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide

C16H21N3O2 — CID 94818590

IUPAC(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NCCCc1cnn(C)c1
InChIInChI=1S/C16H21N3O2/c1-13(21-15-8-4-3-5-9-15)16(20)17-10-6-7-14-11-18-19(2)12-14/h3-5,8-9,11-13H,6-7,10H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyWBPCJEIPAWQLQP-CYBMUJFWSA-N
MW287.36 g/mol
LogP1.94
Rot. Bonds7

About (2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide

(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide (PubChem CID 94818590) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide
PubChem CID94818590
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NCCCc1cnn(C)c1
InChIInChI=1S/C16H21N3O2/c1-13(21-15-8-4-3-5-9-15)16(20)17-10-6-7-14-11-18-19(2)12-14/h3-5,8-9,11-13H,6-7,10H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyWBPCJEIPAWQLQP-CYBMUJFWSA-N
XLogP1.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 95272121
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide
CID 86917229
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-phenoxypropanamide
CID 122274332
(2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide
CID 129417789
3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide
CID 119951131
N-(6-hydroxyhexyl)-2-phenoxypropanamide
CID 103919352
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide
CID 116793941
(2R)-2-phenoxy-N-(3-propan-2-yloxypropyl)propanamide
CID 2227382
1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 86791947

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide?
The IUPAC name of (2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide (CID 94818590) is (2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide is C[C@@H](Oc1ccccc1)C(=O)NCCCc1cnn(C)c1.
What is the InChIKey of (2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide?
The InChIKey is WBPCJEIPAWQLQP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13(21-15-8-4-3-5-9-15)16(20)17-10-6-7-14-11-18-19(2)12-14/h3-5,8-9,11-13H,6-7,10H2,1-2H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide?
(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide has a molecular weight of 287.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide is sourced from PubChem (CID 94818590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).