N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide

C14H16BrFN4O — CID 119524162

IUPACN-(1-amino-2-methylpropan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCC(C)(CN)NC(=O)c1nn(-c2ccc(F)cc2)cc1Br
InChIInChI=1S/C14H16BrFN4O/c1-14(2,8-17)18-13(21)12-11(15)7-20(19-12)10-5-3-9(16)4-6-10/h3-7H,8,17H2,1-2H3,(H,18,21)
InChIKeyJTJFQIJUQUMNGE-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.24
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 119524162) has the molecular formula C14H16BrFN4O and a molecular weight of 355.21 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID119524162
Molecular FormulaC14H16BrFN4O
Molecular Weight355.21 g/mol
Exact Mass354.05
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCC(C)(CN)NC(=O)c1nn(-c2ccc(F)cc2)cc1Br
InChIInChI=1S/C14H16BrFN4O/c1-14(2,8-17)18-13(21)12-11(15)7-20(19-12)10-5-3-9(16)4-6-10/h3-7H,8,17H2,1-2H3,(H,18,21)
InChIKeyJTJFQIJUQUMNGE-UHFFFAOYSA-N
XLogP2.24
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 119524162) is N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide is CC(C)(CN)NC(=O)c1nn(-c2ccc(F)cc2)cc1Br.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is JTJFQIJUQUMNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN4O/c1-14(2,8-17)18-13(21)12-11(15)7-20(19-12)10-5-3-9(16)4-6-10/h3-7H,8,17H2,1-2H3,(H,18,21).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 355.21 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 119524162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).