5-oxo-1-(1H-pyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide

C15H21F3N6O2 — CID 120810655

IUPAC5-oxo-1-(1H-pyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1CC(=O)N(c2cn[nH]c2)C1
InChIInChI=1S/C15H21F3N6O2/c16-15(17,18)12(23-3-1-19-2-4-23)8-20-14(26)10-5-13(25)24(9-10)11-6-21-22-7-11/h6-7,10,12,19H,1-5,8-9H2,(H,20,26)(H,21,22)
InChIKeyYZMCNHIQMUYCPH-UHFFFAOYSA-N
MW374.37 g/mol
LogP-0.29
Rot. Bonds5

About 5-oxo-1-(1H-pyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide

5-oxo-1-(1H-pyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide (PubChem CID 120810655) has the molecular formula C15H21F3N6O2 and a molecular weight of 374.37 g/mol. Its IUPAC name is 5-oxo-1-(1H-pyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(1H-pyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
PubChem CID120810655
Molecular FormulaC15H21F3N6O2
Molecular Weight374.37 g/mol
Exact Mass374.17
IUPAC Name5-oxo-1-(1H-pyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1CC(=O)N(c2cn[nH]c2)C1
InChIInChI=1S/C15H21F3N6O2/c16-15(17,18)12(23-3-1-19-2-4-23)8-20-14(26)10-5-13(25)24(9-10)11-6-21-22-7-11/h6-7,10,12,19H,1-5,8-9H2,(H,20,26)(H,21,22)
InChIKeyYZMCNHIQMUYCPH-UHFFFAOYSA-N
XLogP-0.29
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-pyrazol-4-yl)-1-(3-sulfanylpropanoyl)pyrrolidine-3-carboxamide
CID 177681147
N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006229
4-methyl-2-(2-oxopiperidin-1-yl)-N-(1H-pyrazol-4-yl)pentanamide
CID 71972608
5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43429719
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708423
N-(2-methylpropyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 71830405
N-butan-2-yl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 71830408
N-ethyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 71830415
N-methyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 71830418
N-methyl-5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 75376451
N-butyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 91945627
5-oxo-N-propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 91945628

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1H-pyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(1H-pyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide (CID 120810655) is 5-oxo-1-(1H-pyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(1H-pyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(1H-pyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)C1CC(=O)N(c2cn[nH]c2)C1.
What is the InChIKey of 5-oxo-1-(1H-pyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is YZMCNHIQMUYCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N6O2/c16-15(17,18)12(23-3-1-19-2-4-23)8-20-14(26)10-5-13(25)24(9-10)11-6-21-22-7-11/h6-7,10,12,19H,1-5,8-9H2,(H,20,26)(H,21,22).
What are the key properties of 5-oxo-1-(1H-pyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide?
5-oxo-1-(1H-pyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 374.37 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1H-pyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120810655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).