1-pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol

C15H20F3N5O — CID 136522335

IUPAC1-pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol
SMILESOC(CN1CCCC(n2ccc(C(F)(F)F)n2)C1)Cn1cccn1
InChIInChI=1S/C15H20F3N5O/c16-15(17,18)14-4-8-23(20-14)12-3-1-6-21(9-12)10-13(24)11-22-7-2-5-19-22/h2,4-5,7-8,12-13,24H,1,3,6,9-11H2
InChIKeyHTOFZNLPYNZYFW-UHFFFAOYSA-N
MW343.35 g/mol
LogP1.80
Rot. Bonds5

About 1-pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol

1-pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol (PubChem CID 136522335) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol
PubChem CID136522335
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC Name1-pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol
SMILESOC(CN1CCCC(n2ccc(C(F)(F)F)n2)C1)Cn1cccn1
InChIInChI=1S/C15H20F3N5O/c16-15(17,18)14-4-8-23(20-14)12-3-1-6-21(9-12)10-13(24)11-22-7-2-5-19-22/h2,4-5,7-8,12-13,24H,1,3,6,9-11H2
InChIKeyHTOFZNLPYNZYFW-UHFFFAOYSA-N
XLogP1.80
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol (CID 136522335) is 1-pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol is OC(CN1CCCC(n2ccc(C(F)(F)F)n2)C1)Cn1cccn1.
What is the InChIKey of 1-pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol?
The InChIKey is HTOFZNLPYNZYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O/c16-15(17,18)14-4-8-23(20-14)12-3-1-6-21(9-12)10-13(24)11-22-7-2-5-19-22/h2,4-5,7-8,12-13,24H,1,3,6,9-11H2.
What are the key properties of 1-pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol?
1-pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol has a molecular weight of 343.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 136522335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).