methyl 4-(5-amino-3-tert-butylpyrazol-1-yl)benzoate

C15H19N3O2 — CID 2973426

IUPACmethyl 4-(5-amino-3-tert-butylpyrazol-1-yl)benzoate
SMILESCOC(=O)c1ccc(-n2nc(C(C)(C)C)cc2N)cc1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)12-9-13(16)18(17-12)11-7-5-10(6-8-11)14(19)20-4/h5-9H,16H2,1-4H3
InChIKeyLJDLEEKULCGTLS-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.54
Rot. Bonds2

About methyl 4-(5-amino-3-tert-butylpyrazol-1-yl)benzoate

methyl 4-(5-amino-3-tert-butylpyrazol-1-yl)benzoate (PubChem CID 2973426) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 4-(5-amino-3-tert-butylpyrazol-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(5-amino-3-tert-butylpyrazol-1-yl)benzoate
PubChem CID2973426
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 4-(5-amino-3-tert-butylpyrazol-1-yl)benzoate
SMILESCOC(=O)c1ccc(-n2nc(C(C)(C)C)cc2N)cc1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)12-9-13(16)18(17-12)11-7-5-10(6-8-11)14(19)20-4/h5-9H,16H2,1-4H3
InChIKeyLJDLEEKULCGTLS-UHFFFAOYSA-N
XLogP2.54
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate
CID 2741137
Ethyl 4-[(6-methyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-yl)amino]benzoate
CID 4013085
4-(5-Amino-3-tert-butyl-pyrazol-1-yl)-benzoic acid
CID 974688
ethyl 5-amino-1-[4-(ethoxycarbonyl)phenyl]-1H-pyrazole-4-carboxylate
CID 975290
4-(5-amino-3-methyl-4-phenyl-1H-pyrazol-1-yl)benzoic acid
CID 2962288
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 4802711
4-[3-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-ureido]-benzoic acid butyl ester
CID 9951380
4-(5-Anilino-3-methylpyrazol-1-yl)benzoic acid
CID 2381081
ethyl 4-[({[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}carbonyl)amino]benzoate
CID 16193480
Methyl 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 5308299
butyl 4-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]amino}benzoate
CID 16028087
benzyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate
CID 799986

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-amino-3-tert-butylpyrazol-1-yl)benzoate?
The IUPAC name of methyl 4-(5-amino-3-tert-butylpyrazol-1-yl)benzoate (CID 2973426) is methyl 4-(5-amino-3-tert-butylpyrazol-1-yl)benzoate.
What is the SMILES notation for methyl 4-(5-amino-3-tert-butylpyrazol-1-yl)benzoate?
The canonical SMILES for methyl 4-(5-amino-3-tert-butylpyrazol-1-yl)benzoate is COC(=O)c1ccc(-n2nc(C(C)(C)C)cc2N)cc1.
What is the InChIKey of methyl 4-(5-amino-3-tert-butylpyrazol-1-yl)benzoate?
The InChIKey is LJDLEEKULCGTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)12-9-13(16)18(17-12)11-7-5-10(6-8-11)14(19)20-4/h5-9H,16H2,1-4H3.
What are the key properties of methyl 4-(5-amino-3-tert-butylpyrazol-1-yl)benzoate?
methyl 4-(5-amino-3-tert-butylpyrazol-1-yl)benzoate has a molecular weight of 273.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-amino-3-tert-butylpyrazol-1-yl)benzoate is sourced from PubChem (CID 2973426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).