5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane

C9H14BrF3N4O — CID 162755929

IUPAC5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane
SMILESCC.CC(n1nc(Br)c(C(N)=O)c1N)C(F)(F)F
InChIInChI=1S/C7H8BrF3N4O.C2H6/c1-2(7(9,10)11)15-5(12)3(6(13)16)4(8)14-15;1-2/h2H,12H2,1H3,(H2,13,16);1-2H3
InChIKeyMWHBRSKFYHWFDC-UHFFFAOYSA-N
MW331.14 g/mol
LogP2.48
Rot. Bonds2

About 5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane

5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane (PubChem CID 162755929) has the molecular formula C9H14BrF3N4O and a molecular weight of 331.14 g/mol. Its IUPAC name is 5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane.

Molecular Properties

Compound Name5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane
PubChem CID162755929
Molecular FormulaC9H14BrF3N4O
Molecular Weight331.14 g/mol
Exact Mass330.03
IUPAC Name5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane
SMILESCC.CC(n1nc(Br)c(C(N)=O)c1N)C(F)(F)F
InChIInChI=1S/C7H8BrF3N4O.C2H6/c1-2(7(9,10)11)15-5(12)3(6(13)16)4(8)14-15;1-2/h2H,12H2,1H3,(H2,13,16);1-2H3
InChIKeyMWHBRSKFYHWFDC-UHFFFAOYSA-N
XLogP2.48
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane 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 5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane?
The IUPAC name of 5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane (CID 162755929) is 5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane.
What is the SMILES notation for 5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane?
The canonical SMILES for 5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane is CC.CC(n1nc(Br)c(C(N)=O)c1N)C(F)(F)F.
What is the InChIKey of 5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane?
The InChIKey is MWHBRSKFYHWFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF3N4O.C2H6/c1-2(7(9,10)11)15-5(12)3(6(13)16)4(8)14-15;1-2/h2H,12H2,1H3,(H2,13,16);1-2H3.
What are the key properties of 5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane?
5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane has a molecular weight of 331.14 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane is sourced from PubChem (CID 162755929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).