(5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone

C14H17N3O2 — CID 136533921

IUPAC(5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(n3cccn3)CC2)co1
InChIInChI=1S/C14H17N3O2/c1-11-9-12(10-19-11)14(18)16-7-3-13(4-8-16)17-6-2-5-15-17/h2,5-6,9-10,13H,3-4,7-8H2,1H3
InChIKeyPJYIXPHOPNBBAM-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.26
Rot. Bonds2

About (5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone

(5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone (PubChem CID 136533921) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
PubChem CID136533921
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(n3cccn3)CC2)co1
InChIInChI=1S/C14H17N3O2/c1-11-9-12(10-19-11)14(18)16-7-3-13(4-8-16)17-6-2-5-15-17/h2,5-6,9-10,13H,3-4,7-8H2,1H3
InChIKeyPJYIXPHOPNBBAM-UHFFFAOYSA-N
XLogP2.26
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone (CID 136533921) is (5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCC(n3cccn3)CC2)co1.
What is the InChIKey of (5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The InChIKey is PJYIXPHOPNBBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11-9-12(10-19-11)14(18)16-7-3-13(4-8-16)17-6-2-5-15-17/h2,5-6,9-10,13H,3-4,7-8H2,1H3.
What are the key properties of (5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
(5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 136533921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).