(2-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

C14H18N4O — CID 2975280

IUPAC(2-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCCC1CCCCN1C(=O)c1cnn2cccnc12
InChIInChI=1S/C14H18N4O/c1-2-11-6-3-4-8-17(11)14(19)12-10-16-18-9-5-7-15-13(12)18/h5,7,9-11H,2-4,6,8H2,1H3
InChIKeyUHZUYJYEAMHOBD-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.13
Rot. Bonds2

About (2-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

(2-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 2975280) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID2975280
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(2-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCCC1CCCCN1C(=O)c1cnn2cccnc12
InChIInChI=1S/C14H18N4O/c1-2-11-6-3-4-8-17(11)14(19)12-10-16-18-9-5-7-15-13(12)18/h5,7,9-11H,2-4,6,8H2,1H3
InChIKeyUHZUYJYEAMHOBD-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 2975280) is (2-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is CCC1CCCCN1C(=O)c1cnn2cccnc12.
What is the InChIKey of (2-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is UHZUYJYEAMHOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-11-6-3-4-8-17(11)14(19)12-10-16-18-9-5-7-15-13(12)18/h5,7,9-11H,2-4,6,8H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
(2-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 258.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 2975280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).