ethyl 3-amino-5-phenyl-1-propanoylpyrazole-4-carboxylate

C15H17N3O3 — CID 719200

IUPACethyl 3-amino-5-phenyl-1-propanoylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nn(C(=O)CC)c1-c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-3-11(19)18-13(10-8-6-5-7-9-10)12(14(16)17-18)15(20)21-4-2/h5-9H,3-4H2,1-2H3,(H2,16,17)
InChIKeyCDZSUJQRRHVZTQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.36
Rot. Bonds4

About ethyl 3-amino-5-phenyl-1-propanoylpyrazole-4-carboxylate

ethyl 3-amino-5-phenyl-1-propanoylpyrazole-4-carboxylate (PubChem CID 719200) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 3-amino-5-phenyl-1-propanoylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-phenyl-1-propanoylpyrazole-4-carboxylate
PubChem CID719200
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 3-amino-5-phenyl-1-propanoylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nn(C(=O)CC)c1-c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-3-11(19)18-13(10-8-6-5-7-9-10)12(14(16)17-18)15(20)21-4-2/h5-9H,3-4H2,1-2H3,(H2,16,17)
InChIKeyCDZSUJQRRHVZTQ-UHFFFAOYSA-N
XLogP2.36
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate
CID 709310
1H-Pyrazole-4-carboxylic acid, 3-amino-1-isobutyryl-5-(4-methoxyphenyl)-, ethyl ester
CID 712311
ethyl 3-amino-1-(2,2-dimethylpropanoyl)-5-phenyl-1H-pyrazole-4-carboxylate
CID 971042
ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate
CID 692341
Ethyl 3-amino-5-phenyl-1H-pyrazole-4-carboxylate
CID 868536
ethyl 1-acetyl-3-amino-5-phenyl-1H-pyrazole-4-carboxylate
CID 707687
ethyl 3-amino-1-benzoyl-5-phenyl-1H-pyrazole-4-carboxylate
CID 709309
Ethyl 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylate
CID 76329694
Ethyl 5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylate
CID 744754
1H-Pyrazole-4-carboxylic acid, 1,5-dimethyl-3-phenyl-, methyl ester
CID 827013
Ethyl 3-methyl-1,5-diphenylpyrazole-4-carboxylate
CID 12689670
ethyl 3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carboxylate
CID 60196209

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-phenyl-1-propanoylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-phenyl-1-propanoylpyrazole-4-carboxylate (CID 719200) is ethyl 3-amino-5-phenyl-1-propanoylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-phenyl-1-propanoylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-phenyl-1-propanoylpyrazole-4-carboxylate is CCOC(=O)c1c(N)nn(C(=O)CC)c1-c1ccccc1.
What is the InChIKey of ethyl 3-amino-5-phenyl-1-propanoylpyrazole-4-carboxylate?
The InChIKey is CDZSUJQRRHVZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-11(19)18-13(10-8-6-5-7-9-10)12(14(16)17-18)15(20)21-4-2/h5-9H,3-4H2,1-2H3,(H2,16,17).
What are the key properties of ethyl 3-amino-5-phenyl-1-propanoylpyrazole-4-carboxylate?
ethyl 3-amino-5-phenyl-1-propanoylpyrazole-4-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-phenyl-1-propanoylpyrazole-4-carboxylate is sourced from PubChem (CID 719200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).