ethyl 3-(5-amino-3-phenylpyrazol-1-yl)propanoate

C14H17N3O2 — CID 3242017

IUPACethyl 3-(5-amino-3-phenylpyrazol-1-yl)propanoate
SMILESCCOC(=O)CCn1nc(-c2ccccc2)cc1N
InChIInChI=1S/C14H17N3O2/c1-2-19-14(18)8-9-17-13(15)10-12(16-17)11-6-4-3-5-7-11/h3-7,10H,2,8-9,15H2,1H3
InChIKeyPVQNWGUHYUVCQK-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.09
Rot. Bonds5

About ethyl 3-(5-amino-3-phenylpyrazol-1-yl)propanoate

ethyl 3-(5-amino-3-phenylpyrazol-1-yl)propanoate (PubChem CID 3242017) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 3-(5-amino-3-phenylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-amino-3-phenylpyrazol-1-yl)propanoate
PubChem CID3242017
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 3-(5-amino-3-phenylpyrazol-1-yl)propanoate
SMILESCCOC(=O)CCn1nc(-c2ccccc2)cc1N
InChIInChI=1S/C14H17N3O2/c1-2-19-14(18)8-9-17-13(15)10-12(16-17)11-6-4-3-5-7-11/h3-7,10H,2,8-9,15H2,1H3
InChIKeyPVQNWGUHYUVCQK-UHFFFAOYSA-N
XLogP2.09
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-amino-3-phenylpyrazol-1-yl)propanoate?
The IUPAC name of ethyl 3-(5-amino-3-phenylpyrazol-1-yl)propanoate (CID 3242017) is ethyl 3-(5-amino-3-phenylpyrazol-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-amino-3-phenylpyrazol-1-yl)propanoate?
The canonical SMILES for ethyl 3-(5-amino-3-phenylpyrazol-1-yl)propanoate is CCOC(=O)CCn1nc(-c2ccccc2)cc1N.
What is the InChIKey of ethyl 3-(5-amino-3-phenylpyrazol-1-yl)propanoate?
The InChIKey is PVQNWGUHYUVCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-19-14(18)8-9-17-13(15)10-12(16-17)11-6-4-3-5-7-11/h3-7,10H,2,8-9,15H2,1H3.
What are the key properties of ethyl 3-(5-amino-3-phenylpyrazol-1-yl)propanoate?
ethyl 3-(5-amino-3-phenylpyrazol-1-yl)propanoate has a molecular weight of 259.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-amino-3-phenylpyrazol-1-yl)propanoate is sourced from PubChem (CID 3242017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).