(5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C14H17N3O2 — CID 136533986

IUPAC(5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(c3ccn[nH]3)CC2)co1
InChIInChI=1S/C14H17N3O2/c1-10-8-12(9-19-10)14(18)17-6-3-11(4-7-17)13-2-5-15-16-13/h2,5,8-9,11H,3-4,6-7H2,1H3,(H,15,16)
InChIKeyUZXJOJMUUHUWPR-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.33
Rot. Bonds2

About (5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 136533986) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID136533986
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(c3ccn[nH]3)CC2)co1
InChIInChI=1S/C14H17N3O2/c1-10-8-12(9-19-10)14(18)17-6-3-11(4-7-17)13-2-5-15-16-13/h2,5,8-9,11H,3-4,6-7H2,1H3,(H,15,16)
InChIKeyUZXJOJMUUHUWPR-UHFFFAOYSA-N
XLogP2.33
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 136533986) is (5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(c3ccn[nH]3)CC2)co1.
What is the InChIKey of (5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is UZXJOJMUUHUWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-8-12(9-19-10)14(18)17-6-3-11(4-7-17)13-2-5-15-16-13/h2,5,8-9,11H,3-4,6-7H2,1H3,(H,15,16).
What are the key properties of (5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 259.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 136533986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).