tert-butyl 2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate

C19H24FN3O2 — CID 141288531

IUPACtert-butyl 2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1Cc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C19H24FN3O2/c1-19(2,3)25-18(24)23-10-4-5-16(23)11-15-12-17(22-21-15)13-6-8-14(20)9-7-13/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,21,22)
InChIKeyUASOSOLFMVGFJJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.16
Rot. Bonds3

About tert-butyl 2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate

tert-butyl 2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 141288531) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is tert-butyl 2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID141288531
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Nametert-butyl 2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1Cc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C19H24FN3O2/c1-19(2,3)25-18(24)23-10-4-5-16(23)11-15-12-17(22-21-15)13-6-8-14(20)9-7-13/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,21,22)
InChIKeyUASOSOLFMVGFJJ-UHFFFAOYSA-N
XLogP4.16
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate (CID 141288531) is tert-butyl 2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1Cc1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of tert-butyl 2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is UASOSOLFMVGFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-19(2,3)25-18(24)23-10-4-5-16(23)11-15-12-17(22-21-15)13-6-8-14(20)9-7-13/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl 2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 345.42 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 141288531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).