(3R,5S)-5-hydroxy-3-methyl-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carboxamide

C12H14F3N3O2 — CID 26469778

IUPAC(3R,5S)-5-hydroxy-3-methyl-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carboxamide
SMILESC[C@]1(c2ccccc2)C[C@](O)(C(F)(F)F)N(C(N)=O)N1
InChIInChI=1S/C12H14F3N3O2/c1-10(8-5-3-2-4-6-8)7-11(20,12(13,14)15)18(17-10)9(16)19/h2-6,17,20H,7H2,1H3,(H2,16,19)/t10-,11+/m1/s1
InChIKeyHCPUSMUSJADKFF-MNOVXSKESA-N
MW289.26 g/mol
LogP1.44
Rot. Bonds1

About (3R,5S)-5-hydroxy-3-methyl-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carboxamide

(3R,5S)-5-hydroxy-3-methyl-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carboxamide (PubChem CID 26469778) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is (3R,5S)-5-hydroxy-3-methyl-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,5S)-5-hydroxy-3-methyl-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carboxamide
PubChem CID26469778
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name(3R,5S)-5-hydroxy-3-methyl-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carboxamide
SMILESC[C@]1(c2ccccc2)C[C@](O)(C(F)(F)F)N(C(N)=O)N1
InChIInChI=1S/C12H14F3N3O2/c1-10(8-5-3-2-4-6-8)7-11(20,12(13,14)15)18(17-10)9(16)19/h2-6,17,20H,7H2,1H3,(H2,16,19)/t10-,11+/m1/s1
InChIKeyHCPUSMUSJADKFF-MNOVXSKESA-N
XLogP1.44
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5R)-5-hydroxy-3-methyl-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carbothioamide
CID 163170075
1-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-2-phenylethanone
CID 4742946
3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid
CID 66988147
[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-phenylphenyl)methanone
CID 4743410
(1R)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide
CID 86339419
(3S,5R)-5-hydroxy-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carbothioamide
CID 163177220
(1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide
CID 134595983
benzyl 2-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 141321626
(3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide
CID 137435862
1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine
CID 155405332
3-(2-ethylphenyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 175379159
4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride
CID 115039892

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-hydroxy-3-methyl-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carboxamide?
The IUPAC name of (3R,5S)-5-hydroxy-3-methyl-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carboxamide (CID 26469778) is (3R,5S)-5-hydroxy-3-methyl-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carboxamide.
What is the SMILES notation for (3R,5S)-5-hydroxy-3-methyl-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carboxamide?
The canonical SMILES for (3R,5S)-5-hydroxy-3-methyl-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carboxamide is C[C@]1(c2ccccc2)C[C@](O)(C(F)(F)F)N(C(N)=O)N1.
What is the InChIKey of (3R,5S)-5-hydroxy-3-methyl-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carboxamide?
The InChIKey is HCPUSMUSJADKFF-MNOVXSKESA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-10(8-5-3-2-4-6-8)7-11(20,12(13,14)15)18(17-10)9(16)19/h2-6,17,20H,7H2,1H3,(H2,16,19)/t10-,11+/m1/s1.
What are the key properties of (3R,5S)-5-hydroxy-3-methyl-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carboxamide?
(3R,5S)-5-hydroxy-3-methyl-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 1.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-hydroxy-3-methyl-3-phenyl-5-(trifluoromethyl)pyrazolidine-1-carboxamide is sourced from PubChem (CID 26469778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).