1-(2-methylpropanoyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide

C20H23F3N4O2 — CID 48624751

IUPAC1-(2-methylpropanoyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC1C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C20H23F3N4O2/c1-13(2)19(29)26-10-3-4-16(26)18(28)24-12-14-5-7-15(8-6-14)27-11-9-17(25-27)20(21,22)23/h5-9,11,13,16H,3-4,10,12H2,1-2H3,(H,24,28)
InChIKeyVQTLYYGLJUBUEZ-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.15
Rot. Bonds5

About 1-(2-methylpropanoyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide

1-(2-methylpropanoyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 48624751) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID48624751
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name1-(2-methylpropanoyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC1C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C20H23F3N4O2/c1-13(2)19(29)26-10-3-4-16(26)18(28)24-12-14-5-7-15(8-6-14)27-11-9-17(25-27)20(21,22)23/h5-9,11,13,16H,3-4,10,12H2,1-2H3,(H,24,28)
InChIKeyVQTLYYGLJUBUEZ-UHFFFAOYSA-N
XLogP3.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide (CID 48624751) is 1-(2-methylpropanoyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide is CC(C)C(=O)N1CCCC1C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is VQTLYYGLJUBUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-13(2)19(29)26-10-3-4-16(26)18(28)24-12-14-5-7-15(8-6-14)27-11-9-17(25-27)20(21,22)23/h5-9,11,13,16H,3-4,10,12H2,1-2H3,(H,24,28).
What are the key properties of 1-(2-methylpropanoyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
1-(2-methylpropanoyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 48624751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).