4-(4-fluoro-1-methylpyrazol-3-yl)-1-propan-2-ylpiperidine

C12H20FN3 — CID 176692288

IUPAC4-(4-fluoro-1-methylpyrazol-3-yl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2nn(C)cc2F)CC1
InChIInChI=1S/C12H20FN3/c1-9(2)16-6-4-10(5-7-16)12-11(13)8-15(3)14-12/h8-10H,4-7H2,1-3H3
InChIKeyPZTDUDJNSCWLKA-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.15
Rot. Bonds2

About 4-(4-fluoro-1-methylpyrazol-3-yl)-1-propan-2-ylpiperidine

4-(4-fluoro-1-methylpyrazol-3-yl)-1-propan-2-ylpiperidine (PubChem CID 176692288) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(4-fluoro-1-methylpyrazol-3-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(4-fluoro-1-methylpyrazol-3-yl)-1-propan-2-ylpiperidine
PubChem CID176692288
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name4-(4-fluoro-1-methylpyrazol-3-yl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2nn(C)cc2F)CC1
InChIInChI=1S/C12H20FN3/c1-9(2)16-6-4-10(5-7-16)12-11(13)8-15(3)14-12/h8-10H,4-7H2,1-3H3
InChIKeyPZTDUDJNSCWLKA-UHFFFAOYSA-N
XLogP2.15
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-1-methylpyrazol-3-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(4-fluoro-1-methylpyrazol-3-yl)-1-propan-2-ylpiperidine (CID 176692288) is 4-(4-fluoro-1-methylpyrazol-3-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(4-fluoro-1-methylpyrazol-3-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(4-fluoro-1-methylpyrazol-3-yl)-1-propan-2-ylpiperidine is CC(C)N1CCC(c2nn(C)cc2F)CC1.
What is the InChIKey of 4-(4-fluoro-1-methylpyrazol-3-yl)-1-propan-2-ylpiperidine?
The InChIKey is PZTDUDJNSCWLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-9(2)16-6-4-10(5-7-16)12-11(13)8-15(3)14-12/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-(4-fluoro-1-methylpyrazol-3-yl)-1-propan-2-ylpiperidine?
4-(4-fluoro-1-methylpyrazol-3-yl)-1-propan-2-ylpiperidine has a molecular weight of 225.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-1-methylpyrazol-3-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 176692288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).