2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H20N6O2 — CID 110118281

IUPAC2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C3CCN(C(=O)c4ccn(C)n4)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C17H20N6O2/c1-11-9-15-18-14(10-16(24)23(15)19-11)12-3-7-22(8-4-12)17(25)13-5-6-21(2)20-13/h5-6,9-10,12,19H,3-4,7-8H2,1-2H3
InChIKeyPJSSTRSLQNOCGB-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.08
Rot. Bonds2

About 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110118281) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110118281
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C3CCN(C(=O)c4ccn(C)n4)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C17H20N6O2/c1-11-9-15-18-14(10-16(24)23(15)19-11)12-3-7-22(8-4-12)17(25)13-5-6-21(2)20-13/h5-6,9-10,12,19H,3-4,7-8H2,1-2H3
InChIKeyPJSSTRSLQNOCGB-UHFFFAOYSA-N
XLogP1.08
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110118281) is 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(C3CCN(C(=O)c4ccn(C)n4)CC3)cc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PJSSTRSLQNOCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-9-15-18-14(10-16(24)23(15)19-11)12-3-7-22(8-4-12)17(25)13-5-6-21(2)20-13/h5-6,9-10,12,19H,3-4,7-8H2,1-2H3.
What are the key properties of 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 340.39 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110118281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).