1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

C14H22F3N3O — CID 75509396

IUPAC1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCCn1nc(C)c(CN2CCC(O)(C(F)(F)F)CC2)c1C
InChIInChI=1S/C14H22F3N3O/c1-4-20-11(3)12(10(2)18-20)9-19-7-5-13(21,6-8-19)14(15,16)17/h21H,4-9H2,1-3H3
InChIKeyXNVQAURTGSRMHS-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.41
Rot. Bonds3

About 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 75509396) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID75509396
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCCn1nc(C)c(CN2CCC(O)(C(F)(F)F)CC2)c1C
InChIInChI=1S/C14H22F3N3O/c1-4-20-11(3)12(10(2)18-20)9-19-7-5-13(21,6-8-19)14(15,16)17/h21H,4-9H2,1-3H3
InChIKeyXNVQAURTGSRMHS-UHFFFAOYSA-N
XLogP2.41
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
CID 56728245
1-Ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
CID 56730044
1-[(3-Ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 75500665
3,4,5-Trimethyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 57871986
6-ethyl-1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 58157179
2-[3,4-Dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 58514645
2-[4,5-Dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 70669464
1,4-Diethyl-5-methyl-3-(trifluoromethyl)pyrazole
CID 70988309
1-Ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole
CID 89861408
6-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 90162183
6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 90162189
1,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 90167631

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (CID 75509396) is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is CCn1nc(C)c(CN2CCC(O)(C(F)(F)F)CC2)c1C.
What is the InChIKey of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is XNVQAURTGSRMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-4-20-11(3)12(10(2)18-20)9-19-7-5-13(21,6-8-19)14(15,16)17/h21H,4-9H2,1-3H3.
What are the key properties of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 305.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 75509396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).