ethyl 3-[4-(propanoylamino)phenyl]-1H-pyrazole-5-carboxylate

C15H17N3O3 — CID 56675194

IUPACethyl 3-[4-(propanoylamino)phenyl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NC(=O)CC)cc2)n[nH]1
InChIInChI=1S/C15H17N3O3/c1-3-14(19)16-11-7-5-10(6-8-11)12-9-13(18-17-12)15(20)21-4-2/h5-9H,3-4H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOZVRCWKPYGLPOX-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.60
Rot. Bonds5

About ethyl 3-[4-(propanoylamino)phenyl]-1H-pyrazole-5-carboxylate

ethyl 3-[4-(propanoylamino)phenyl]-1H-pyrazole-5-carboxylate (PubChem CID 56675194) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 3-[4-(propanoylamino)phenyl]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-(propanoylamino)phenyl]-1H-pyrazole-5-carboxylate
PubChem CID56675194
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 3-[4-(propanoylamino)phenyl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NC(=O)CC)cc2)n[nH]1
InChIInChI=1S/C15H17N3O3/c1-3-14(19)16-11-7-5-10(6-8-11)12-9-13(18-17-12)15(20)21-4-2/h5-9H,3-4H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOZVRCWKPYGLPOX-UHFFFAOYSA-N
XLogP2.60
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(propanoylamino)phenyl]-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-[4-(propanoylamino)phenyl]-1H-pyrazole-5-carboxylate (CID 56675194) is ethyl 3-[4-(propanoylamino)phenyl]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[4-(propanoylamino)phenyl]-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[4-(propanoylamino)phenyl]-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccc(NC(=O)CC)cc2)n[nH]1.
What is the InChIKey of ethyl 3-[4-(propanoylamino)phenyl]-1H-pyrazole-5-carboxylate?
The InChIKey is OZVRCWKPYGLPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-14(19)16-11-7-5-10(6-8-11)12-9-13(18-17-12)15(20)21-4-2/h5-9H,3-4H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of ethyl 3-[4-(propanoylamino)phenyl]-1H-pyrazole-5-carboxylate?
ethyl 3-[4-(propanoylamino)phenyl]-1H-pyrazole-5-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(propanoylamino)phenyl]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 56675194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).