(2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol

C15H20F3N5O — CID 100871677

IUPAC(2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol
SMILESO[C@H](CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1)Cn1cccn1
InChIInChI=1S/C15H20F3N5O/c16-15(17,18)14-7-13(20-21-14)11-3-1-5-22(8-11)9-12(24)10-23-6-2-4-19-23/h2,4,6-7,11-12,24H,1,3,5,8-10H2,(H,20,21)/t11-,12-/m1/s1
InChIKeyCFEXIWDKBHPIAF-VXGBXAGGSA-N
MW343.35 g/mol
LogP1.87
Rot. Bonds5

About (2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol

(2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol (PubChem CID 100871677) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is (2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol
PubChem CID100871677
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC Name(2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol
SMILESO[C@H](CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1)Cn1cccn1
InChIInChI=1S/C15H20F3N5O/c16-15(17,18)14-7-13(20-21-14)11-3-1-5-22(8-11)9-12(24)10-23-6-2-4-19-23/h2,4,6-7,11-12,24H,1,3,5,8-10H2,(H,20,21)/t11-,12-/m1/s1
InChIKeyCFEXIWDKBHPIAF-VXGBXAGGSA-N
XLogP1.87
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol (CID 100871677) is (2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol is O[C@H](CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1)Cn1cccn1.
What is the InChIKey of (2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol?
The InChIKey is CFEXIWDKBHPIAF-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20F3N5O/c16-15(17,18)14-7-13(20-21-14)11-3-1-5-22(8-11)9-12(24)10-23-6-2-4-19-23/h2,4,6-7,11-12,24H,1,3,5,8-10H2,(H,20,21)/t11-,12-/m1/s1.
What are the key properties of (2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol?
(2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol has a molecular weight of 343.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 100871677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).