1-methyl-N-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide

C11H15F3N4O2 — CID 19341876

IUPAC1-methyl-N-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1c(NC(=O)C(F)(F)F)cnn1C
InChIInChI=1S/C11H15F3N4O2/c1-6(2)4-15-9(19)8-7(5-16-18(8)3)17-10(20)11(12,13)14/h5-6H,4H2,1-3H3,(H,15,19)(H,17,20)
InChIKeyHBOOSLJISMKJTG-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.31
Rot. Bonds4

About 1-methyl-N-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide

1-methyl-N-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide (PubChem CID 19341876) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-methyl-N-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide
PubChem CID19341876
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name1-methyl-N-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1c(NC(=O)C(F)(F)F)cnn1C
InChIInChI=1S/C11H15F3N4O2/c1-6(2)4-15-9(19)8-7(5-16-18(8)3)17-10(20)11(12,13)14/h5-6H,4H2,1-3H3,(H,15,19)(H,17,20)
InChIKeyHBOOSLJISMKJTG-UHFFFAOYSA-N
XLogP1.31
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide (CID 19341876) is 1-methyl-N-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide is CC(C)CNC(=O)c1c(NC(=O)C(F)(F)F)cnn1C.
What is the InChIKey of 1-methyl-N-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide?
The InChIKey is HBOOSLJISMKJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-6(2)4-15-9(19)8-7(5-16-18(8)3)17-10(20)11(12,13)14/h5-6H,4H2,1-3H3,(H,15,19)(H,17,20).
What are the key properties of 1-methyl-N-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide?
1-methyl-N-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide is sourced from PubChem (CID 19341876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).