4-amino-1-(4-bromo-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide

C15H18BrFN4O2 — CID 164784464

IUPAC4-amino-1-(4-bromo-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCOc1cc(Br)cc(F)c1-n1nc(C(C)C)c(N)c1C(N)=O
InChIInChI=1S/C15H18BrFN4O2/c1-4-23-10-6-8(16)5-9(17)13(10)21-14(15(19)22)11(18)12(20-21)7(2)3/h5-7H,4,18H2,1-3H3,(H2,19,22)
InChIKeyJSWDKZWZZFIMHF-UHFFFAOYSA-N
MW385.24 g/mol
LogP2.98
Rot. Bonds5

About 4-amino-1-(4-bromo-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide

4-amino-1-(4-bromo-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 164784464) has the molecular formula C15H18BrFN4O2 and a molecular weight of 385.24 g/mol. Its IUPAC name is 4-amino-1-(4-bromo-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(4-bromo-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID164784464
Molecular FormulaC15H18BrFN4O2
Molecular Weight385.24 g/mol
Exact Mass384.06
IUPAC Name4-amino-1-(4-bromo-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCOc1cc(Br)cc(F)c1-n1nc(C(C)C)c(N)c1C(N)=O
InChIInChI=1S/C15H18BrFN4O2/c1-4-23-10-6-8(16)5-9(17)13(10)21-14(15(19)22)11(18)12(20-21)7(2)3/h5-7H,4,18H2,1-3H3,(H2,19,22)
InChIKeyJSWDKZWZZFIMHF-UHFFFAOYSA-N
XLogP2.98
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-bromo-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-(4-bromo-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide (CID 164784464) is 4-amino-1-(4-bromo-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-(4-bromo-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-(4-bromo-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide is CCOc1cc(Br)cc(F)c1-n1nc(C(C)C)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-1-(4-bromo-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is JSWDKZWZZFIMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN4O2/c1-4-23-10-6-8(16)5-9(17)13(10)21-14(15(19)22)11(18)12(20-21)7(2)3/h5-7H,4,18H2,1-3H3,(H2,19,22).
What are the key properties of 4-amino-1-(4-bromo-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide?
4-amino-1-(4-bromo-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 385.24 g/mol, XLogP of 2.98, 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-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 164784464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).