1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)piperidine

C12H17ClF3N3 — CID 62959059

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)piperidine
SMILESCc1nn(C)c(Cl)c1CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H17ClF3N3/c1-8-10(11(13)18(2)17-8)7-19-5-3-4-9(6-19)12(14,15)16/h9H,3-7H2,1-2H3
InChIKeyGFUFGMVLHMUKDT-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.16
Rot. Bonds2

About 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)piperidine

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)piperidine (PubChem CID 62959059) has the molecular formula C12H17ClF3N3 and a molecular weight of 295.74 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)piperidine
PubChem CID62959059
Molecular FormulaC12H17ClF3N3
Molecular Weight295.74 g/mol
Exact Mass295.11
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)piperidine
SMILESCc1nn(C)c(Cl)c1CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H17ClF3N3/c1-8-10(11(13)18(2)17-8)7-19-5-3-4-9(6-19)12(14,15)16/h9H,3-7H2,1-2H3
InChIKeyGFUFGMVLHMUKDT-UHFFFAOYSA-N
XLogP3.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-2-piperidin-1-ylethanamine
CID 28321359
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethylcyclohexanamine
CID 51889601
5-chloro-1,4-dimethyl-3-(trifluoromethyl)-1H-pyrazole
CID 22087346
3-Chloro-1,4-dimethyl-5-(trifluoromethyl)pyrazole
CID 23392073
5-Chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 58279026
5-Chloro-1,3-dimethyl-4-(trifluoromethyl)pyrazole
CID 58615539
5-Chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole
CID 69295771
5-Chloro-3-(difluoromethyl)-1,4-dimethylpyrazole
CID 89546521
3-Chloro-1-(difluoromethyl)-4,5-dimethylpyrazole
CID 118030077
5-Chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole
CID 118284701
3-Chloro-1,5-dimethyl-4-(trifluoromethyl)pyrazole
CID 139378921
1-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine
CID 141160121

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)piperidine (CID 62959059) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)piperidine is Cc1nn(C)c(Cl)c1CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)piperidine?
The InChIKey is GFUFGMVLHMUKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N3/c1-8-10(11(13)18(2)17-8)7-19-5-3-4-9(6-19)12(14,15)16/h9H,3-7H2,1-2H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)piperidine?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)piperidine has a molecular weight of 295.74 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 62959059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).