4-amino-1-(4-bromo-2-ethoxyphenyl)-3-propan-2-ylpyrazole-5-carboxamide

C15H19BrN4O2 — CID 164784346

IUPAC4-amino-1-(4-bromo-2-ethoxyphenyl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCOc1cc(Br)ccc1-n1nc(C(C)C)c(N)c1C(N)=O
InChIInChI=1S/C15H19BrN4O2/c1-4-22-11-7-9(16)5-6-10(11)20-14(15(18)21)12(17)13(19-20)8(2)3/h5-8H,4,17H2,1-3H3,(H2,18,21)
InChIKeyKQJYIPMTIGATJR-UHFFFAOYSA-N
MW367.25 g/mol
LogP2.84
Rot. Bonds5

About 4-amino-1-(4-bromo-2-ethoxyphenyl)-3-propan-2-ylpyrazole-5-carboxamide

4-amino-1-(4-bromo-2-ethoxyphenyl)-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 164784346) has the molecular formula C15H19BrN4O2 and a molecular weight of 367.25 g/mol. Its IUPAC name is 4-amino-1-(4-bromo-2-ethoxyphenyl)-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(4-bromo-2-ethoxyphenyl)-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID164784346
Molecular FormulaC15H19BrN4O2
Molecular Weight367.25 g/mol
Exact Mass366.07
IUPAC Name4-amino-1-(4-bromo-2-ethoxyphenyl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCOc1cc(Br)ccc1-n1nc(C(C)C)c(N)c1C(N)=O
InChIInChI=1S/C15H19BrN4O2/c1-4-22-11-7-9(16)5-6-10(11)20-14(15(18)21)12(17)13(19-20)8(2)3/h5-8H,4,17H2,1-3H3,(H2,18,21)
InChIKeyKQJYIPMTIGATJR-UHFFFAOYSA-N
XLogP2.84
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-1-(4-bromo-2-ethoxyphenyl)-3-propan-2-ylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-bromo-2-ethoxyphenyl)-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-(4-bromo-2-ethoxyphenyl)-3-propan-2-ylpyrazole-5-carboxamide (CID 164784346) is 4-amino-1-(4-bromo-2-ethoxyphenyl)-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-(4-bromo-2-ethoxyphenyl)-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-(4-bromo-2-ethoxyphenyl)-3-propan-2-ylpyrazole-5-carboxamide is CCOc1cc(Br)ccc1-n1nc(C(C)C)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-1-(4-bromo-2-ethoxyphenyl)-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is KQJYIPMTIGATJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O2/c1-4-22-11-7-9(16)5-6-10(11)20-14(15(18)21)12(17)13(19-20)8(2)3/h5-8H,4,17H2,1-3H3,(H2,18,21).
What are the key properties of 4-amino-1-(4-bromo-2-ethoxyphenyl)-3-propan-2-ylpyrazole-5-carboxamide?
4-amino-1-(4-bromo-2-ethoxyphenyl)-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 367.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-bromo-2-ethoxyphenyl)-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 164784346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).