ethyl 4-(5-amino-3-propan-2-ylpyrazol-1-yl)benzoate

C15H19N3O2 — CID 58945244

IUPACethyl 4-(5-amino-3-propan-2-ylpyrazol-1-yl)benzoate
SMILESCCOC(=O)c1ccc(-n2nc(C(C)C)cc2N)cc1
InChIInChI=1S/C15H19N3O2/c1-4-20-15(19)11-5-7-12(8-6-11)18-14(16)9-13(17-18)10(2)3/h5-10H,4,16H2,1-3H3
InChIKeyBNMUOZIXBHPMBL-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.75
Rot. Bonds4

About ethyl 4-(5-amino-3-propan-2-ylpyrazol-1-yl)benzoate

ethyl 4-(5-amino-3-propan-2-ylpyrazol-1-yl)benzoate (PubChem CID 58945244) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 4-(5-amino-3-propan-2-ylpyrazol-1-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(5-amino-3-propan-2-ylpyrazol-1-yl)benzoate
PubChem CID58945244
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 4-(5-amino-3-propan-2-ylpyrazol-1-yl)benzoate
SMILESCCOC(=O)c1ccc(-n2nc(C(C)C)cc2N)cc1
InChIInChI=1S/C15H19N3O2/c1-4-20-15(19)11-5-7-12(8-6-11)18-14(16)9-13(17-18)10(2)3/h5-10H,4,16H2,1-3H3
InChIKeyBNMUOZIXBHPMBL-UHFFFAOYSA-N
XLogP2.75
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(5-amino-3-butylpyrazol-1-yl)benzoate
CID 143256280
4-(5-amino-3-ethoxycarbonylpyrazol-1-yl)benzoic acid
CID 59001333
methyl 4-[5-amino-3-(1-iodobutyl)pyrazol-1-yl]benzoate
CID 137428000
ethyl 4-[5-[(4-chlorophenyl)carbamoylamino]-3-propan-2-ylpyrazol-1-yl]benzoate
CID 58011072
1-(4-bromophenyl)-3-propan-2-ylpyrazol-5-amine
CID 43381361
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
CID 23630921
ethyl 4-(4-formyl-3,5-dimethylpyrazol-1-yl)benzoate
CID 84760452
propan-2-yl 5-amino-1-(4-ethoxycarbonylphenyl)triazole-4-carboxylate
CID 94940205
ethyl 4-amino-3-(3-propan-2-ylpyrazol-1-yl)benzoate
CID 82795971
ethyl 4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzoate
CID 84760313
ethyl 4-[[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]diazenyl]benzoate
CID 3117409
ethyl 4-aminobenzoate
CID 2337

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-amino-3-propan-2-ylpyrazol-1-yl)benzoate?
The IUPAC name of ethyl 4-(5-amino-3-propan-2-ylpyrazol-1-yl)benzoate (CID 58945244) is ethyl 4-(5-amino-3-propan-2-ylpyrazol-1-yl)benzoate.
What is the SMILES notation for ethyl 4-(5-amino-3-propan-2-ylpyrazol-1-yl)benzoate?
The canonical SMILES for ethyl 4-(5-amino-3-propan-2-ylpyrazol-1-yl)benzoate is CCOC(=O)c1ccc(-n2nc(C(C)C)cc2N)cc1.
What is the InChIKey of ethyl 4-(5-amino-3-propan-2-ylpyrazol-1-yl)benzoate?
The InChIKey is BNMUOZIXBHPMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-20-15(19)11-5-7-12(8-6-11)18-14(16)9-13(17-18)10(2)3/h5-10H,4,16H2,1-3H3.
What are the key properties of ethyl 4-(5-amino-3-propan-2-ylpyrazol-1-yl)benzoate?
ethyl 4-(5-amino-3-propan-2-ylpyrazol-1-yl)benzoate has a molecular weight of 273.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-amino-3-propan-2-ylpyrazol-1-yl)benzoate is sourced from PubChem (CID 58945244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).