(4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

C13H16N4O — CID 2237287

IUPAC(4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCC1CCN(C(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C13H16N4O/c1-10-3-7-16(8-4-10)13(18)11-9-15-17-6-2-5-14-12(11)17/h2,5-6,9-10H,3-4,7-8H2,1H3
InChIKeyHDHATVQEFKSFRT-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.60
Rot. Bonds1

About (4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

(4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 2237287) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID2237287
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCC1CCN(C(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C13H16N4O/c1-10-3-7-16(8-4-10)13(18)11-9-15-17-6-2-5-14-12(11)17/h2,5-6,9-10H,3-4,7-8H2,1H3
InChIKeyHDHATVQEFKSFRT-UHFFFAOYSA-N
XLogP1.60
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of (4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 2237287) is (4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is CC1CCN(C(=O)c2cnn3cccnc23)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is HDHATVQEFKSFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-3-7-16(8-4-10)13(18)11-9-15-17-6-2-5-14-12(11)17/h2,5-6,9-10H,3-4,7-8H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
(4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 244.30 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 2237287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).