(3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C16H18F3N3O — CID 129372706

IUPAC(3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESCn1nccc1CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H18F3N3O/c1-21-13(5-6-20-21)9-22-10-14(23)8-15(22)11-3-2-4-12(7-11)16(17,18)19/h2-7,14-15,23H,8-10H2,1H3/t14-,15-/m1/s1
InChIKeyZZHQKWVSTIYONR-HUUCEWRRSA-N
MW325.33 g/mol
LogP2.75
Rot. Bonds3

About (3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol

(3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 129372706) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is (3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID129372706
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name(3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESCn1nccc1CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H18F3N3O/c1-21-13(5-6-20-21)9-22-10-14(23)8-15(22)11-3-2-4-12(7-11)16(17,18)19/h2-7,14-15,23H,8-10H2,1H3/t14-,15-/m1/s1
InChIKeyZZHQKWVSTIYONR-HUUCEWRRSA-N
XLogP2.75
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 129372706) is (3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol is Cn1nccc1CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is ZZHQKWVSTIYONR-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-21-13(5-6-20-21)9-22-10-14(23)8-15(22)11-3-2-4-12(7-11)16(17,18)19/h2-7,14-15,23H,8-10H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
(3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 325.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 129372706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).