(3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol

C15H18FN3O2 — CID 175654918

IUPAC(3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCn1cc(CN2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cn1
InChIInChI=1S/C15H18FN3O2/c1-18-7-11(6-17-18)8-19-9-14(20)15(10-19)21-13-4-2-3-12(16)5-13/h2-7,14-15,20H,8-10H2,1H3/t14-,15-/m1/s1
InChIKeyPFDCAEQKQKLRJZ-HUUCEWRRSA-N
MW291.33 g/mol
LogP1.18
Rot. Bonds4

About (3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol

(3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 175654918) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is (3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID175654918
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name(3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCn1cc(CN2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cn1
InChIInChI=1S/C15H18FN3O2/c1-18-7-11(6-17-18)8-19-9-14(20)15(10-19)21-13-4-2-3-12(16)5-13/h2-7,14-15,20H,8-10H2,1H3/t14-,15-/m1/s1
InChIKeyPFDCAEQKQKLRJZ-HUUCEWRRSA-N
XLogP1.18
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol (CID 175654918) is (3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol is Cn1cc(CN2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cn1.
What is the InChIKey of (3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is PFDCAEQKQKLRJZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-18-7-11(6-17-18)8-19-9-14(20)15(10-19)21-13-4-2-3-12(16)5-13/h2-7,14-15,20H,8-10H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
(3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 291.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 175654918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).