(2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide

C15H17N3O2 — CID 100828980

IUPAC(2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)Oc1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O2/c1-3-10-16-15(19)12(2)20-14-9-11-18(17-14)13-7-5-4-6-8-13/h3-9,11-12H,1,10H2,2H3,(H,16,19)/t12-/m0/s1
InChIKeyCDJYBRFQQNCZHU-LBPRGKRZSA-N
MW271.32 g/mol
LogP1.94
Rot. Bonds6

About (2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide

(2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide (PubChem CID 100828980) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
PubChem CID100828980
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)Oc1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O2/c1-3-10-16-15(19)12(2)20-14-9-11-18(17-14)13-7-5-4-6-8-13/h3-9,11-12H,1,10H2,2H3,(H,16,19)/t12-/m0/s1
InChIKeyCDJYBRFQQNCZHU-LBPRGKRZSA-N
XLogP1.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100828979
(2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819911
(2R)-N-phenyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819963
(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100819734
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 110210605
2-(1-phenylpyrazol-3-yl)oxy-N-(2-pyridin-2-ylethyl)propanamide
CID 102567154
2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide
CID 100820037
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819925
(2S)-N-cyclopentyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819947
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100828981
3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
CID 100819977

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide?
The IUPAC name of (2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide (CID 100828980) is (2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide.
What is the SMILES notation for (2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide?
The canonical SMILES for (2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide is C=CCNC(=O)[C@H](C)Oc1ccn(-c2ccccc2)n1.
What is the InChIKey of (2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide?
The InChIKey is CDJYBRFQQNCZHU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-10-16-15(19)12(2)20-14-9-11-18(17-14)13-7-5-4-6-8-13/h3-9,11-12H,1,10H2,2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide?
(2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide has a molecular weight of 271.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide is sourced from PubChem (CID 100828980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).