3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

C16H20F3N3O — CID 110006261

IUPAC3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCC(C)c1cccc(Cn2cc(CCCO)c(C(F)(F)F)n2)n1
InChIInChI=1S/C16H20F3N3O/c1-11(2)14-7-3-6-13(20-14)10-22-9-12(5-4-8-23)15(21-22)16(17,18)19/h3,6-7,9,11,23H,4-5,8,10H2,1-2H3
InChIKeyNIJMJUMQUZZJIS-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.39
Rot. Bonds6

About 3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 110006261) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is 3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
PubChem CID110006261
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCC(C)c1cccc(Cn2cc(CCCO)c(C(F)(F)F)n2)n1
InChIInChI=1S/C16H20F3N3O/c1-11(2)14-7-3-6-13(20-14)10-22-9-12(5-4-8-23)15(21-22)16(17,18)19/h3,6-7,9,11,23H,4-5,8,10H2,1-2H3
InChIKeyNIJMJUMQUZZJIS-UHFFFAOYSA-N
XLogP3.39
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol with MolForge

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Related Compounds

3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 126767746
3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 110006229
2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110019055
2-(6-propan-2-yl-2-pyridinyl)ethanol
CID 67800992
3-[1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 110006205
2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006317
2-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006291
2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 75399903
2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 99819881
2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine
CID 20709403
2-[1-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 86815616
2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006327

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (CID 110006261) is 3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is CC(C)c1cccc(Cn2cc(CCCO)c(C(F)(F)F)n2)n1.
What is the InChIKey of 3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is NIJMJUMQUZZJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O/c1-11(2)14-7-3-6-13(20-14)10-22-9-12(5-4-8-23)15(21-22)16(17,18)19/h3,6-7,9,11,23H,4-5,8,10H2,1-2H3.
What are the key properties of 3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 327.35 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 110006261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).