3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol

C15H22F3N3O — CID 56706978

IUPAC3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCCCn1cc(C2=CCN(CC(O)C(F)(F)F)CC2)cn1
InChIInChI=1S/C15H22F3N3O/c1-2-3-6-21-10-13(9-19-21)12-4-7-20(8-5-12)11-14(22)15(16,17)18/h4,9-10,14,22H,2-3,5-8,11H2,1H3
InChIKeyFLDSBSVKIGLUKG-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.70
Rot. Bonds6

About 3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol

3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 56706978) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID56706978
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Name3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCCCn1cc(C2=CCN(CC(O)C(F)(F)F)CC2)cn1
InChIInChI=1S/C15H22F3N3O/c1-2-3-6-21-10-13(9-19-21)12-4-7-20(8-5-12)11-14(22)15(16,17)18/h4,9-10,14,22H,2-3,5-8,11H2,1H3
InChIKeyFLDSBSVKIGLUKG-UHFFFAOYSA-N
XLogP2.70
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

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(2S)-1-[4-[1-[(2,4,6-trifluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol
CID 95127406
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1,1,1-Trifluoro-3-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 56706978) is 3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol is CCCCn1cc(C2=CCN(CC(O)C(F)(F)F)CC2)cn1.
What is the InChIKey of 3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is FLDSBSVKIGLUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-2-3-6-21-10-13(9-19-21)12-4-7-20(8-5-12)11-14(22)15(16,17)18/h4,9-10,14,22H,2-3,5-8,11H2,1H3.
What are the key properties of 3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol?
3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 317.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 56706978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).