5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide

C8H12F3N3O2 — CID 24888092

IUPAC5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
SMILESCC(C)C1=NN(C(N)=O)C(O)(C(F)(F)F)C1
InChIInChI=1S/C8H12F3N3O2/c1-4(2)5-3-7(16,8(9,10)11)14(13-5)6(12)15/h4,16H,3H2,1-2H3,(H2,12,15)
InChIKeySBSSUFSGQJSFKN-UHFFFAOYSA-N
MW239.20 g/mol
LogP1.03
Rot. Bonds1

About 5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide

5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide (PubChem CID 24888092) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
PubChem CID24888092
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
SMILESCC(C)C1=NN(C(N)=O)C(O)(C(F)(F)F)C1
InChIInChI=1S/C8H12F3N3O2/c1-4(2)5-3-7(16,8(9,10)11)14(13-5)6(12)15/h4,16H,3H2,1-2H3,(H2,12,15)
InChIKeySBSSUFSGQJSFKN-UHFFFAOYSA-N
XLogP1.03
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The IUPAC name of 5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide (CID 24888092) is 5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide.
What is the SMILES notation for 5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The canonical SMILES for 5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide is CC(C)C1=NN(C(N)=O)C(O)(C(F)(F)F)C1.
What is the InChIKey of 5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The InChIKey is SBSSUFSGQJSFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c1-4(2)5-3-7(16,8(9,10)11)14(13-5)6(12)15/h4,16H,3H2,1-2H3,(H2,12,15).
What are the key properties of 5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide has a molecular weight of 239.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 24888092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).