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

C17H21N5O2 — CID 137128030

IUPAC2-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)acetyl]-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)CN3C4CCC3CC4)c2C)n1
InChIInChI=1S/C17H21N5O2/c1-10-7-16(24)20-17(19-10)22-11(2)14(8-18-22)15(23)9-21-12-3-4-13(21)6-5-12/h7-8,12-13H,3-6,9H2,1-2H3,(H,19,20,24)
InChIKeyQJNNCFWRVDSIES-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.38
Rot. Bonds4

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

2-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)acetyl]-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137128030) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)acetyl]-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)acetyl]-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137128030
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)acetyl]-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)CN3C4CCC3CC4)c2C)n1
InChIInChI=1S/C17H21N5O2/c1-10-7-16(24)20-17(19-10)22-11(2)14(8-18-22)15(23)9-21-12-3-4-13(21)6-5-12/h7-8,12-13H,3-6,9H2,1-2H3,(H,19,20,24)
InChIKeyQJNNCFWRVDSIES-UHFFFAOYSA-N
XLogP1.38
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 136035921
2-[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049124
N-cyclohexyl-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide
CID 137049138
4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049215
2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049247
2-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-(1-cyclohexyl-1H-pyrazol-5-yl)acetamide
CID 46995301
N-(2-(cyclohex-1-en-1-yl)ethyl)-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136035917
N-(2-(cyclohex-1-en-1-yl)ethyl)-1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 136035922
2-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 137128205
N',5-dimethyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-N-[(Z)-4-oxobut-2-en-2-yl]pyrazole-1-carboximidamide
CID 145286861
2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 145287448
4-methyl-2-[5-methyl-4-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 157599347

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)acetyl]-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)acetyl]-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 137128030) is 2-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)acetyl]-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)acetyl]-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)acetyl]-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2ncc(C(=O)CN3C4CCC3CC4)c2C)n1.
What is the InChIKey of 2-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)acetyl]-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QJNNCFWRVDSIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-10-7-16(24)20-17(19-10)22-11(2)14(8-18-22)15(23)9-21-12-3-4-13(21)6-5-12/h7-8,12-13H,3-6,9H2,1-2H3,(H,19,20,24).
What are the key properties of 2-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)acetyl]-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)acetyl]-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 327.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)acetyl]-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137128030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).