propyl 2-phenyl-2-pyrazol-1-ylacetate

C14H16N2O2 — CID 75417530

IUPACpropyl 2-phenyl-2-pyrazol-1-ylacetate
SMILESCCCOC(=O)C(c1ccccc1)n1cccn1
InChIInChI=1S/C14H16N2O2/c1-2-11-18-14(17)13(16-10-6-9-15-16)12-7-4-3-5-8-12/h3-10,13H,2,11H2,1H3
InChIKeyVDXAMWKKUIJGCR-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.43
Rot. Bonds5

About propyl 2-phenyl-2-pyrazol-1-ylacetate

propyl 2-phenyl-2-pyrazol-1-ylacetate (PubChem CID 75417530) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is propyl 2-phenyl-2-pyrazol-1-ylacetate.

Molecular Properties

Compound Namepropyl 2-phenyl-2-pyrazol-1-ylacetate
PubChem CID75417530
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namepropyl 2-phenyl-2-pyrazol-1-ylacetate
SMILESCCCOC(=O)C(c1ccccc1)n1cccn1
InChIInChI=1S/C14H16N2O2/c1-2-11-18-14(17)13(16-10-6-9-15-16)12-7-4-3-5-8-12/h3-10,13H,2,11H2,1H3
InChIKeyVDXAMWKKUIJGCR-UHFFFAOYSA-N
XLogP2.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-[phenyl(pyrazol-1-yl)methyl]propanedioate
CID 12581035
(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate
CID 95586292
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
ethyl 2-phenyl-2-(1,2,4-triazol-1-yl)acetate
CID 106676925
2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 119223934
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl (2S)-2-phenyl-2-pyrazol-1-ylacetate
CID 98787026
propyl (2R)-2-phenylpropanoate
CID 14926551
2-phenyl-N-(1-propylpiperidin-4-yl)-2-pyrazol-1-ylacetamide
CID 51108379
(2R)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 94822827
N-(2-hydroxy-2-phenylethyl)-2-phenyl-2-pyrazol-1-ylacetamide
CID 51103317
propyl (3S)-3-hydroxy-3-phenylpropanoate
CID 102185519
ethyl (3R)-1-[(2R)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxylate
CID 95383565

Frequently Asked Questions

What is the IUPAC name of propyl 2-phenyl-2-pyrazol-1-ylacetate?
The IUPAC name of propyl 2-phenyl-2-pyrazol-1-ylacetate (CID 75417530) is propyl 2-phenyl-2-pyrazol-1-ylacetate.
What is the SMILES notation for propyl 2-phenyl-2-pyrazol-1-ylacetate?
The canonical SMILES for propyl 2-phenyl-2-pyrazol-1-ylacetate is CCCOC(=O)C(c1ccccc1)n1cccn1.
What is the InChIKey of propyl 2-phenyl-2-pyrazol-1-ylacetate?
The InChIKey is VDXAMWKKUIJGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-11-18-14(17)13(16-10-6-9-15-16)12-7-4-3-5-8-12/h3-10,13H,2,11H2,1H3.
What are the key properties of propyl 2-phenyl-2-pyrazol-1-ylacetate?
propyl 2-phenyl-2-pyrazol-1-ylacetate has a molecular weight of 244.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-phenyl-2-pyrazol-1-ylacetate is sourced from PubChem (CID 75417530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).