(4-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone

C14H18N4O — CID 126834528

IUPAC(4-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone
SMILESCCC1CCN(C(=O)c2ccn3nccc3n2)CC1
InChIInChI=1S/C14H18N4O/c1-2-11-4-8-17(9-5-11)14(19)12-6-10-18-13(16-12)3-7-15-18/h3,6-7,10-11H,2,4-5,8-9H2,1H3
InChIKeyXUEZXTAWOMLWCH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.99
Rot. Bonds2

About (4-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone

(4-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone (PubChem CID 126834528) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (4-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(4-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone
PubChem CID126834528
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(4-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone
SMILESCCC1CCN(C(=O)c2ccn3nccc3n2)CC1
InChIInChI=1S/C14H18N4O/c1-2-11-4-8-17(9-5-11)14(19)12-6-10-18-13(16-12)3-7-15-18/h3,6-7,10-11H,2,4-5,8-9H2,1H3
InChIKeyXUEZXTAWOMLWCH-UHFFFAOYSA-N
XLogP1.99
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone?
The IUPAC name of (4-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone (CID 126834528) is (4-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone.
What is the SMILES notation for (4-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone?
The canonical SMILES for (4-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone is CCC1CCN(C(=O)c2ccn3nccc3n2)CC1.
What is the InChIKey of (4-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone?
The InChIKey is XUEZXTAWOMLWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-11-4-8-17(9-5-11)14(19)12-6-10-18-13(16-12)3-7-15-18/h3,6-7,10-11H,2,4-5,8-9H2,1H3.
What are the key properties of (4-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone?
(4-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone has a molecular weight of 258.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone is sourced from PubChem (CID 126834528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).