ethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate

C15H15N5O2 — CID 17383699

IUPACethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate
SMILESCCOC(=O)c1ccc(-n2cc(-n3cc(N)cn3)cn2)cc1
InChIInChI=1S/C15H15N5O2/c1-2-22-15(21)11-3-5-13(6-4-11)20-10-14(8-18-20)19-9-12(16)7-17-19/h3-10H,2,16H2,1H3
InChIKeyAALHMNJHZCVXGU-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.82
Rot. Bonds4

About ethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate

ethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate (PubChem CID 17383699) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is ethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate
PubChem CID17383699
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Nameethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate
SMILESCCOC(=O)c1ccc(-n2cc(-n3cc(N)cn3)cn2)cc1
InChIInChI=1S/C15H15N5O2/c1-2-22-15(21)11-3-5-13(6-4-11)20-10-14(8-18-20)19-9-12(16)7-17-19/h3-10H,2,16H2,1H3
InChIKeyAALHMNJHZCVXGU-UHFFFAOYSA-N
XLogP1.82
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-ethoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365495
ethyl 4-(4-cyanopyrazol-1-yl)benzoate
CID 174605681
ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate
CID 155434676
ethyl 4-aminobenzoate
CID 2337
ethyl 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]benzoate
CID 57477744
butane;ethyl 4-aminobenzoate
CID 67389405
ethyl 1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylate;[4-(trifluoromethoxy)phenyl]hydrazine;hydrochloride
CID 162044011
ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate
CID 113320668
ethyl 3-amino-4-(4-methylpyrazol-1-yl)benzoate
CID 61311701
ethyl 4-[4,8,11-tris(4-ethoxycarbonylphenyl)-1,4,8,11-tetrazacyclotetradec-1-yl]benzoate
CID 134540950
propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
CID 55771754
N-aminohydroxylamine;ethyl 4-pyrazol-1-ylbenzoate;4-pyrazol-1-ylbenzohydrazide
CID 157086437

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate?
The IUPAC name of ethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate (CID 17383699) is ethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate?
The canonical SMILES for ethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate is CCOC(=O)c1ccc(-n2cc(-n3cc(N)cn3)cn2)cc1.
What is the InChIKey of ethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate?
The InChIKey is AALHMNJHZCVXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-2-22-15(21)11-3-5-13(6-4-11)20-10-14(8-18-20)19-9-12(16)7-17-19/h3-10H,2,16H2,1H3.
What are the key properties of ethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate?
ethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate has a molecular weight of 297.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate is sourced from PubChem (CID 17383699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).