N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide

C15H22ClF3N4O3S — CID 19326173

IUPACN-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H22ClF3N4O3S/c1-10-12(16)13(15(17,18)19)21-23(10)7-3-6-20-14(24)11-4-8-22(9-5-11)27(2,25)26/h11H,3-9H2,1-2H3,(H,20,24)
InChIKeyPBCIIIXZCWXTOS-UHFFFAOYSA-N
MW430.88 g/mol
LogP2.04
Rot. Bonds6

About N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 19326173) has the molecular formula C15H22ClF3N4O3S and a molecular weight of 430.88 g/mol. Its IUPAC name is N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID19326173
Molecular FormulaC15H22ClF3N4O3S
Molecular Weight430.88 g/mol
Exact Mass430.11
IUPAC NameN-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H22ClF3N4O3S/c1-10-12(16)13(15(17,18)19)21-23(10)7-3-6-20-14(24)11-4-8-22(9-5-11)27(2,25)26/h11H,3-9H2,1-2H3,(H,20,24)
InChIKeyPBCIIIXZCWXTOS-UHFFFAOYSA-N
XLogP2.04
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.88
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 17022725
1-(methylsulfonyl)-N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}piperidine-4-carboxamide
CID 17022949
N-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)-4-piperidinecarboxamide
CID 19584299
N-[[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 45817000
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 49738354
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19324208
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylbutanamide
CID 19325921
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide
CID 19554152
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 19554238
1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 60493314
1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 110731136
N-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120275049

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 19326173) is N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide is Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is PBCIIIXZCWXTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClF3N4O3S/c1-10-12(16)13(15(17,18)19)21-23(10)7-3-6-20-14(24)11-4-8-22(9-5-11)27(2,25)26/h11H,3-9H2,1-2H3,(H,20,24).
What are the key properties of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 430.88 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 19326173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).