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

C19H24FN3O2 — CID 71281599

IUPACtert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C19H24FN3O2/c1-19(2,3)25-18(24)23-10-4-5-14(12-23)17-11-16(21-22-17)13-6-8-15(20)9-7-13/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,21,22)
InChIKeyAMVMLFDPDIVZFC-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.33
Rot. Bonds2

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

tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate (PubChem CID 71281599) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
PubChem CID71281599
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Nametert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C19H24FN3O2/c1-19(2,3)25-18(24)23-10-4-5-14(12-23)17-11-16(21-22-17)13-6-8-15(20)9-7-13/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,21,22)
InChIKeyAMVMLFDPDIVZFC-UHFFFAOYSA-N
XLogP4.33
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate (CID 71281599) is tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc(F)cc3)n[nH]2)C1.
What is the InChIKey of tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate?
The InChIKey is AMVMLFDPDIVZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-19(2,3)25-18(24)23-10-4-5-14(12-23)17-11-16(21-22-17)13-6-8-15(20)9-7-13/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate?
tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate has a molecular weight of 345.42 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 71281599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).