4-amino-N-(2-hydroxy-2-methylpropyl)-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide

C11H17F3N4O2 — CID 70115015

IUPAC4-amino-N-(2-hydroxy-2-methylpropyl)-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
SMILESCC(C)(O)CNC(=O)c1c(N)cnn1CCC(F)(F)F
InChIInChI=1S/C11H17F3N4O2/c1-10(2,20)6-16-9(19)8-7(15)5-17-18(8)4-3-11(12,13)14/h5,20H,3-4,6,15H2,1-2H3,(H,16,19)
InChIKeyXHXWWSDZBGNBMD-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.92
Rot. Bonds5

About 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide

4-amino-N-(2-hydroxy-2-methylpropyl)-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide (PubChem CID 70115015) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2-methylpropyl)-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
PubChem CID70115015
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC Name4-amino-N-(2-hydroxy-2-methylpropyl)-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
SMILESCC(C)(O)CNC(=O)c1c(N)cnn1CCC(F)(F)F
InChIInChI=1S/C11H17F3N4O2/c1-10(2,20)6-16-9(19)8-7(15)5-17-18(8)4-3-11(12,13)14/h5,20H,3-4,6,15H2,1-2H3,(H,16,19)
InChIKeyXHXWWSDZBGNBMD-UHFFFAOYSA-N
XLogP0.92
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.92
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-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide (CID 70115015) is 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide is CC(C)(O)CNC(=O)c1c(N)cnn1CCC(F)(F)F.
What is the InChIKey of 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide?
The InChIKey is XHXWWSDZBGNBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2/c1-10(2,20)6-16-9(19)8-7(15)5-17-18(8)4-3-11(12,13)14/h5,20H,3-4,6,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-(2-hydroxy-2-methylpropyl)-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide?
4-amino-N-(2-hydroxy-2-methylpropyl)-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide has a molecular weight of 294.28 g/mol, XLogP of 0.92, 5 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-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70115015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).