[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C16H18FN3O2 — CID 99698662

IUPAC[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H]2CO)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O2/c1-11-9-15(16(22)19-8-2-3-14(19)10-21)18-20(11)13-6-4-12(17)5-7-13/h4-7,9,14,21H,2-3,8,10H2,1H3/t14-/m1/s1
InChIKeyJIMHWEOZQICKSW-CQSZACIVSA-N
MW303.34 g/mol
LogP1.92
Rot. Bonds3

About [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 99698662) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID99698662
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H]2CO)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O2/c1-11-9-15(16(22)19-8-2-3-14(19)10-21)18-20(11)13-6-4-12(17)5-7-13/h4-7,9,14,21H,2-3,8,10H2,1H3/t14-/m1/s1
InChIKeyJIMHWEOZQICKSW-CQSZACIVSA-N
XLogP1.92
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 99698662) is [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@@H]2CO)nn1-c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JIMHWEOZQICKSW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-11-9-15(16(22)19-8-2-3-14(19)10-21)18-20(11)13-6-4-12(17)5-7-13/h4-7,9,14,21H,2-3,8,10H2,1H3/t14-/m1/s1.
What are the key properties of [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 303.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 99698662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).