(6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone

C18H18N4O — CID 135300270

IUPAC(6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cc2ncc(-c3ccccc3)cn2n1)N1CCCCC1
InChIInChI=1S/C18H18N4O/c23-18(21-9-5-2-6-10-21)16-11-17-19-12-15(13-22(17)20-16)14-7-3-1-4-8-14/h1,3-4,7-8,11-13H,2,5-6,9-10H2
InChIKeyFMPLEOQOMDDUKI-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.02
Rot. Bonds2

About (6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone

(6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone (PubChem CID 135300270) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
PubChem CID135300270
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cc2ncc(-c3ccccc3)cn2n1)N1CCCCC1
InChIInChI=1S/C18H18N4O/c23-18(21-9-5-2-6-10-21)16-11-17-19-12-15(13-22(17)20-16)14-7-3-1-4-8-14/h1,3-4,7-8,11-13H,2,5-6,9-10H2
InChIKeyFMPLEOQOMDDUKI-UHFFFAOYSA-N
XLogP3.02
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone (CID 135300270) is (6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone is O=C(c1cc2ncc(-c3ccccc3)cn2n1)N1CCCCC1.
What is the InChIKey of (6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone?
The InChIKey is FMPLEOQOMDDUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(21-9-5-2-6-10-21)16-11-17-19-12-15(13-22(17)20-16)14-7-3-1-4-8-14/h1,3-4,7-8,11-13H,2,5-6,9-10H2.
What are the key properties of (6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone?
(6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone has a molecular weight of 306.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 135300270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).