(3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

C19H18F6N4O3 — CID 89476561

IUPAC(3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESC[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(CCC(F)(F)F)n1
InChIInChI=1S/C19H18F6N4O3/c1-10-13(9-26-16(10)30)17(31)27-15-8-14(29(28-15)6-5-18(20,21)22)11-3-2-4-12(7-11)32-19(23,24)25/h2-4,7-8,10,13H,5-6,9H2,1H3,(H,26,30)(H,27,28,31)/t10-,13+/m1/s1
InChIKeyIHVKEGZNNCQYGX-MFKMUULPSA-N
MW464.37 g/mol
LogP3.72
Rot. Bonds6

About (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

(3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (PubChem CID 89476561) has the molecular formula C19H18F6N4O3 and a molecular weight of 464.37 g/mol. Its IUPAC name is (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
PubChem CID89476561
Molecular FormulaC19H18F6N4O3
Molecular Weight464.37 g/mol
Exact Mass464.13
IUPAC Name(3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESC[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(CCC(F)(F)F)n1
InChIInChI=1S/C19H18F6N4O3/c1-10-13(9-26-16(10)30)17(31)27-15-8-14(29(28-15)6-5-18(20,21)22)11-3-2-4-12(7-11)32-19(23,24)25/h2-4,7-8,10,13H,5-6,9H2,1H3,(H,26,30)(H,27,28,31)/t10-,13+/m1/s1
InChIKeyIHVKEGZNNCQYGX-MFKMUULPSA-N
XLogP3.72
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.37
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173801
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 155519892
N-[4-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide
CID 2809602
(3R,4R)-4-Methyl-5-oxopyrrolidine-3-carboxylic acid[1-(4-fluorophenyl)-5-(3-(trifluoromethoxy)phenyl)-1H-pyrazol-3-yl]amide
CID 71287729
(3R,4R)-4-Methyl-5-oxopyrrolidine-3-carboxylic acid[1-(3-fluorophenyl)-5-(3-(trifluoromethoxy)phenyl)-1H-pyrazol-3-yl]amide
CID 71287825
(3R,4R)-4-Methyl-5-oxopyrrolidine-3-carboxylic acid[1-phenyl-5-(3-(trifluoromethoxy)phenyl)-1H-pyrazol-3-yl]amide
CID 71510275
(R)-5-Oxopyrrolidine-3-carboxylic acid [1-phenyl-5-(3-trifluoromethoxyphenyl)-1H-pyrazol-3-yl]amide
CID 89465736
(3R,4R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 89476565
(3R)-N-[1-(3-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476567
(3R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476568
(4R)-2-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
CID 89476571
(3S)-5-oxo-N-[1-phenyl-5-[3-(4,4,4-trifluorobutoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476576

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (CID 89476561) is (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(CCC(F)(F)F)n1.
What is the InChIKey of (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is IHVKEGZNNCQYGX-MFKMUULPSA-N. The full InChI is InChI=1S/C19H18F6N4O3/c1-10-13(9-26-16(10)30)17(31)27-15-8-14(29(28-15)6-5-18(20,21)22)11-3-2-4-12(7-11)32-19(23,24)25/h2-4,7-8,10,13H,5-6,9H2,1H3,(H,26,30)(H,27,28,31)/t10-,13+/m1/s1.
What are the key properties of (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
(3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 464.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 89476561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).