(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide

C16H19N3O2 — CID 100819734

IUPAC(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1C
InChIInChI=1S/C16H19N3O2/c1-4-10-17-15(20)13(3)21-16-12(2)11-19(18-16)14-8-6-5-7-9-14/h4-9,11,13H,1,10H2,2-3H3,(H,17,20)/t13-/m1/s1
InChIKeyWINFIPMWIYWHPN-CYBMUJFWSA-N
MW285.35 g/mol
LogP2.25
Rot. Bonds6

About (2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide

(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide (PubChem CID 100819734) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
PubChem CID100819734
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1C
InChIInChI=1S/C16H19N3O2/c1-4-10-17-15(20)13(3)21-16-12(2)11-19(18-16)14-8-6-5-7-9-14/h4-9,11,13H,1,10H2,2-3H3,(H,17,20)/t13-/m1/s1
InChIKeyWINFIPMWIYWHPN-CYBMUJFWSA-N
XLogP2.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.25
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

2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 110210605
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 102552852
(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 100819736
(2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 100819764
N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 102552868
(2R)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100828979
(2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100828980
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 110210593
(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-pyridin-2-ylpropanamide
CID 100819781
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 102552878
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 100830030
3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
CID 100819794

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide?
The IUPAC name of (2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide (CID 100819734) is (2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide.
What is the SMILES notation for (2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide?
The canonical SMILES for (2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide is C=CCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1C.
What is the InChIKey of (2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide?
The InChIKey is WINFIPMWIYWHPN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-10-17-15(20)13(3)21-16-12(2)11-19(18-16)14-8-6-5-7-9-14/h4-9,11,13H,1,10H2,2-3H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide?
(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide has a molecular weight of 285.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide is sourced from PubChem (CID 100819734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).