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

C11H10F3N3O2 — CID 24888095

IUPAC5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
SMILESNC(=O)N1N=C(c2ccccc2)CC1(O)C(F)(F)F
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)10(19)6-8(16-17(10)9(15)18)7-4-2-1-3-5-7/h1-5,19H,6H2,(H2,15,18)
InChIKeyANSBKIQDPCUTLD-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.43
Rot. Bonds1

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

5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide (PubChem CID 24888095) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
PubChem CID24888095
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
SMILESNC(=O)N1N=C(c2ccccc2)CC1(O)C(F)(F)F
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)10(19)6-8(16-17(10)9(15)18)7-4-2-1-3-5-7/h1-5,19H,6H2,(H2,15,18)
InChIKeyANSBKIQDPCUTLD-UHFFFAOYSA-N
XLogP1.43
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The IUPAC name of 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide (CID 24888095) is 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide.
What is the SMILES notation for 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The canonical SMILES for 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide is NC(=O)N1N=C(c2ccccc2)CC1(O)C(F)(F)F.
What is the InChIKey of 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The InChIKey is ANSBKIQDPCUTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c12-11(13,14)10(19)6-8(16-17(10)9(15)18)7-4-2-1-3-5-7/h1-5,19H,6H2,(H2,15,18).
What are the key properties of 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide has a molecular weight of 273.21 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 24888095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).