4-morpholin-4-ylsulfonyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C19H23F3N6O4S — CID 55699187

IUPAC4-morpholin-4-ylsulfonyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H23F3N6O4S/c20-19(21,22)15-2-3-17(28-5-1-4-23-28)16(14-15)24-18(29)25-6-8-26(9-7-25)33(30,31)27-10-12-32-13-11-27/h1-5,14H,6-13H2,(H,24,29)
InChIKeySLLXDJKFKCAXES-UHFFFAOYSA-N
MW488.49 g/mol
LogP1.62
Rot. Bonds4

About 4-morpholin-4-ylsulfonyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-morpholin-4-ylsulfonyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 55699187) has the molecular formula C19H23F3N6O4S and a molecular weight of 488.49 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID55699187
Molecular FormulaC19H23F3N6O4S
Molecular Weight488.49 g/mol
Exact Mass488.15
IUPAC Name4-morpholin-4-ylsulfonyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H23F3N6O4S/c20-19(21,22)15-2-3-17(28-5-1-4-23-28)16(14-15)24-18(29)25-6-8-26(9-7-25)33(30,31)27-10-12-32-13-11-27/h1-5,14H,6-13H2,(H,24,29)
InChIKeySLLXDJKFKCAXES-UHFFFAOYSA-N
XLogP1.62
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074970
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 26725643
3,4-difluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725502
2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 22268773
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725440
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26725545
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 46616677
(3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111474707
N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55742297
4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 8844382

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 55699187) is 4-morpholin-4-ylsulfonyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is SLLXDJKFKCAXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O4S/c20-19(21,22)15-2-3-17(28-5-1-4-23-28)16(14-15)24-18(29)25-6-8-26(9-7-25)33(30,31)27-10-12-32-13-11-27/h1-5,14H,6-13H2,(H,24,29).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-morpholin-4-ylsulfonyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 488.49 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55699187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).