5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide

C8H12F3N3O2 — CID 24888091

IUPAC5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
SMILESCCCC1=NN(C(N)=O)C(O)(C(F)(F)F)C1
InChIInChI=1S/C8H12F3N3O2/c1-2-3-5-4-7(16,8(9,10)11)14(13-5)6(12)15/h16H,2-4H2,1H3,(H2,12,15)
InChIKeyYHTZBSCXJCGMNW-UHFFFAOYSA-N
MW239.20 g/mol
LogP1.18
Rot. Bonds2

About 5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide

5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide (PubChem CID 24888091) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
PubChem CID24888091
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
SMILESCCCC1=NN(C(N)=O)C(O)(C(F)(F)F)C1
InChIInChI=1S/C8H12F3N3O2/c1-2-3-5-4-7(16,8(9,10)11)14(13-5)6(12)15/h16H,2-4H2,1H3,(H2,12,15)
InChIKeyYHTZBSCXJCGMNW-UHFFFAOYSA-N
XLogP1.18
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The IUPAC name of 5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide (CID 24888091) is 5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide.
What is the SMILES notation for 5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The canonical SMILES for 5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide is CCCC1=NN(C(N)=O)C(O)(C(F)(F)F)C1.
What is the InChIKey of 5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The InChIKey is YHTZBSCXJCGMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c1-2-3-5-4-7(16,8(9,10)11)14(13-5)6(12)15/h16H,2-4H2,1H3,(H2,12,15).
What are the key properties of 5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide has a molecular weight of 239.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 24888091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).