ethyl 2-(4-phenylpyrazol-1-yl)pentanoate

C16H20N2O2 — CID 83037837

IUPACethyl 2-(4-phenylpyrazol-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H20N2O2/c1-3-8-15(16(19)20-4-2)18-12-14(11-17-18)13-9-6-5-7-10-13/h5-7,9-12,15H,3-4,8H2,1-2H3
InChIKeyUCADUPCCWHBPBY-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.45
Rot. Bonds6

About ethyl 2-(4-phenylpyrazol-1-yl)pentanoate

ethyl 2-(4-phenylpyrazol-1-yl)pentanoate (PubChem CID 83037837) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is ethyl 2-(4-phenylpyrazol-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(4-phenylpyrazol-1-yl)pentanoate
PubChem CID83037837
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nameethyl 2-(4-phenylpyrazol-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H20N2O2/c1-3-8-15(16(19)20-4-2)18-12-14(11-17-18)13-9-6-5-7-10-13/h5-7,9-12,15H,3-4,8H2,1-2H3
InChIKeyUCADUPCCWHBPBY-UHFFFAOYSA-N
XLogP3.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-fluoro-2-(4-phenylpyrazol-1-yl)acetate
CID 81298287
ethyl 2-(4-methylpyrazol-1-yl)pentanoate
CID 83037654
(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide
CID 100830723
3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid
CID 62771313
ethyl 2-(4-methylpyrazol-1-yl)butanoate
CID 25248356
2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid
CID 102547341
(2R)-N-(4-methylphenyl)-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938415
ethyl 4-amino-2-methylbutanoate;1-methyl-4-phenylbenzene
CID 145264208
ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate
CID 7017156
ethyl 2-fluoro-2-(4-phenylphenyl)acetate
CID 21405824
methyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate
CID 62771523
4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine
CID 62770469

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-phenylpyrazol-1-yl)pentanoate?
The IUPAC name of ethyl 2-(4-phenylpyrazol-1-yl)pentanoate (CID 83037837) is ethyl 2-(4-phenylpyrazol-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-(4-phenylpyrazol-1-yl)pentanoate?
The canonical SMILES for ethyl 2-(4-phenylpyrazol-1-yl)pentanoate is CCCC(C(=O)OCC)n1cc(-c2ccccc2)cn1.
What is the InChIKey of ethyl 2-(4-phenylpyrazol-1-yl)pentanoate?
The InChIKey is UCADUPCCWHBPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-8-15(16(19)20-4-2)18-12-14(11-17-18)13-9-6-5-7-10-13/h5-7,9-12,15H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-(4-phenylpyrazol-1-yl)pentanoate?
ethyl 2-(4-phenylpyrazol-1-yl)pentanoate has a molecular weight of 272.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-phenylpyrazol-1-yl)pentanoate is sourced from PubChem (CID 83037837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).