(3R,5R)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrrolidin-3-ol

C10H11F6N3O — CID 141327367

IUPAC(3R,5R)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@@H](Cn2nc(C(F)(F)F)cc2C(F)(F)F)C1
InChIInChI=1S/C10H11F6N3O/c11-9(12,13)7-2-8(10(14,15)16)19(18-7)4-5-1-6(20)3-17-5/h2,5-6,17,20H,1,3-4H2/t5-,6-/m1/s1
InChIKeyYLBVHVHNQGTBNX-PHDIDXHHSA-N
MW303.21 g/mol
LogP1.64
Rot. Bonds2

About (3R,5R)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrrolidin-3-ol

(3R,5R)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrrolidin-3-ol (PubChem CID 141327367) has the molecular formula C10H11F6N3O and a molecular weight of 303.21 g/mol. Its IUPAC name is (3R,5R)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrrolidin-3-ol
PubChem CID141327367
Molecular FormulaC10H11F6N3O
Molecular Weight303.21 g/mol
Exact Mass303.08
IUPAC Name(3R,5R)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@@H](Cn2nc(C(F)(F)F)cc2C(F)(F)F)C1
InChIInChI=1S/C10H11F6N3O/c11-9(12,13)7-2-8(10(14,15)16)19(18-7)4-5-1-6(20)3-17-5/h2,5-6,17,20H,1,3-4H2/t5-,6-/m1/s1
InChIKeyYLBVHVHNQGTBNX-PHDIDXHHSA-N
XLogP1.64
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
CID 122633509
1-[3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol
CID 122633557
3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 122633606
1-[3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propane-1,2-diol
CID 138654779
2-Amino-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 138654945
Ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol
CID 144862609
4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pyrrolidin-3-ol
CID 63704742
1-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 102332325
3-[3-(3,5-Dimethylpyrazol-1-yl)propylamino]-1,1,1-trifluoropropan-2-ol
CID 104704508
3-[(1,3-Diethylpyrazol-5-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105644757
3-[(2,5-Dimethylpyrazol-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105644949
3-[(2-Ethyl-5-methylpyrazol-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105644951

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrrolidin-3-ol (CID 141327367) is (3R,5R)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrrolidin-3-ol is O[C@H]1CN[C@@H](Cn2nc(C(F)(F)F)cc2C(F)(F)F)C1.
What is the InChIKey of (3R,5R)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrrolidin-3-ol?
The InChIKey is YLBVHVHNQGTBNX-PHDIDXHHSA-N. The full InChI is InChI=1S/C10H11F6N3O/c11-9(12,13)7-2-8(10(14,15)16)19(18-7)4-5-1-6(20)3-17-5/h2,5-6,17,20H,1,3-4H2/t5-,6-/m1/s1.
What are the key properties of (3R,5R)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrrolidin-3-ol?
(3R,5R)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrrolidin-3-ol has a molecular weight of 303.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 141327367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).