N-(2-ethylbutyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

C16H25F3N4O — CID 75448726

IUPACN-(2-ethylbutyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCCC(CC)CNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H25F3N4O/c1-3-12(4-2)11-20-15(24)22-8-5-13(6-9-22)23-10-7-14(21-23)16(17,18)19/h7,10,12-13H,3-6,8-9,11H2,1-2H3,(H,20,24)
InChIKeyDAVRSABIEMIQQH-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.68
Rot. Bonds5

About N-(2-ethylbutyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

N-(2-ethylbutyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 75448726) has the molecular formula C16H25F3N4O and a molecular weight of 346.40 g/mol. Its IUPAC name is N-(2-ethylbutyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID75448726
Molecular FormulaC16H25F3N4O
Molecular Weight346.40 g/mol
Exact Mass346.20
IUPAC NameN-(2-ethylbutyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCCC(CC)CNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H25F3N4O/c1-3-12(4-2)11-20-15(24)22-8-5-13(6-9-22)23-10-7-14(21-23)16(17,18)19/h7,10,12-13H,3-6,8-9,11H2,1-2H3,(H,20,24)
InChIKeyDAVRSABIEMIQQH-UHFFFAOYSA-N
XLogP3.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 75448726) is N-(2-ethylbutyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is CCC(CC)CNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-(2-ethylbutyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is DAVRSABIEMIQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O/c1-3-12(4-2)11-20-15(24)22-8-5-13(6-9-22)23-10-7-14(21-23)16(17,18)19/h7,10,12-13H,3-6,8-9,11H2,1-2H3,(H,20,24).
What are the key properties of N-(2-ethylbutyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
N-(2-ethylbutyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 75448726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).