2-[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

C16H19N5O2 — CID 137049124

IUPAC2-[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3C4CCC3CC4)c2C)n1
InChIInChI=1S/C16H19N5O2/c1-9-7-14(22)19-16(18-9)21-10(2)13(8-17-21)15(23)20-11-3-4-12(20)6-5-11/h7-8,11-12H,3-6H2,1-2H3,(H,18,19,22)
InChIKeyHVFQOVJVBKWARF-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.34
Rot. Bonds2

About 2-[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

2-[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137049124) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137049124
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3C4CCC3CC4)c2C)n1
InChIInChI=1S/C16H19N5O2/c1-9-7-14(22)19-16(18-9)21-10(2)13(8-17-21)15(23)20-11-3-4-12(20)6-5-11/h7-8,11-12H,3-6H2,1-2H3,(H,18,19,22)
InChIKeyHVFQOVJVBKWARF-UHFFFAOYSA-N
XLogP1.34
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 137049124) is 2-[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3C4CCC3CC4)c2C)n1.
What is the InChIKey of 2-[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is HVFQOVJVBKWARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-9-7-14(22)19-16(18-9)21-10(2)13(8-17-21)15(23)20-11-3-4-12(20)6-5-11/h7-8,11-12H,3-6H2,1-2H3,(H,18,19,22).
What are the key properties of 2-[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 313.36 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137049124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).