4-amino-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

C10H15F3N4O2 — CID 70115792

IUPAC4-amino-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCC(C)(O)CNC(=O)c1c(N)cnn1CC(F)(F)F
InChIInChI=1S/C10H15F3N4O2/c1-9(2,19)4-15-8(18)7-6(14)3-16-17(7)5-10(11,12)13/h3,19H,4-5,14H2,1-2H3,(H,15,18)
InChIKeyFMPCIIPFOSWSIL-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.53
Rot. Bonds4

About 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

4-amino-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 70115792) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID70115792
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name4-amino-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCC(C)(O)CNC(=O)c1c(N)cnn1CC(F)(F)F
InChIInChI=1S/C10H15F3N4O2/c1-9(2,19)4-15-8(18)7-6(14)3-16-17(7)5-10(11,12)13/h3,19H,4-5,14H2,1-2H3,(H,15,18)
InChIKeyFMPCIIPFOSWSIL-UHFFFAOYSA-N
XLogP0.53
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 70115792) is 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is CC(C)(O)CNC(=O)c1c(N)cnn1CC(F)(F)F.
What is the InChIKey of 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is FMPCIIPFOSWSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-9(2,19)4-15-8(18)7-6(14)3-16-17(7)5-10(11,12)13/h3,19H,4-5,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
4-amino-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70115792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).