N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide

C16H23F3N4O3S — CID 71807763

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)CC1
InChIInChI=1S/C16H23F3N4O3S/c1-27(25,26)22-7-4-12(5-8-22)15(24)20-6-9-23-13(11-2-3-11)10-14(21-23)16(17,18)19/h10-12H,2-9H2,1H3,(H,20,24)
InChIKeyYOBVYNSTKSPTSD-UHFFFAOYSA-N
MW408.45 g/mol
LogP1.57
Rot. Bonds6

About N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 71807763) has the molecular formula C16H23F3N4O3S and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID71807763
Molecular FormulaC16H23F3N4O3S
Molecular Weight408.45 g/mol
Exact Mass408.14
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)CC1
InChIInChI=1S/C16H23F3N4O3S/c1-27(25,26)22-7-4-12(5-8-22)15(24)20-6-9-23-13(11-2-3-11)10-14(21-23)16(17,18)19/h10-12H,2-9H2,1H3,(H,20,24)
InChIKeyYOBVYNSTKSPTSD-UHFFFAOYSA-N
XLogP1.57
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 71807763) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)CC1.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is YOBVYNSTKSPTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O3S/c1-27(25,26)22-7-4-12(5-8-22)15(24)20-6-9-23-13(11-2-3-11)10-14(21-23)16(17,18)19/h10-12H,2-9H2,1H3,(H,20,24).
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 71807763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).