4-(1-cyclobutylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one

C17H20N6O — CID 138596941

IUPAC4-(1-cyclobutylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(-c2cnn(C3CCC3)c2)nc(-n2ccnc2)[nH]c1=O
InChIInChI=1S/C17H20N6O/c1-11(2)14-15(12-8-19-23(9-12)13-4-3-5-13)20-17(21-16(14)24)22-7-6-18-10-22/h6-11,13H,3-5H2,1-2H3,(H,20,21,24)
InChIKeyJIEQTYROMHFZQH-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.67
Rot. Bonds4

About 4-(1-cyclobutylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one

4-(1-cyclobutylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 138596941) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-(1-cyclobutylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-cyclobutylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID138596941
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name4-(1-cyclobutylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(-c2cnn(C3CCC3)c2)nc(-n2ccnc2)[nH]c1=O
InChIInChI=1S/C17H20N6O/c1-11(2)14-15(12-8-19-23(9-12)13-4-3-5-13)20-17(21-16(14)24)22-7-6-18-10-22/h6-11,13H,3-5H2,1-2H3,(H,20,21,24)
InChIKeyJIEQTYROMHFZQH-UHFFFAOYSA-N
XLogP2.67
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclobutylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-cyclobutylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one (CID 138596941) is 4-(1-cyclobutylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-cyclobutylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-cyclobutylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(-c2cnn(C3CCC3)c2)nc(-n2ccnc2)[nH]c1=O.
What is the InChIKey of 4-(1-cyclobutylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JIEQTYROMHFZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11(2)14-15(12-8-19-23(9-12)13-4-3-5-13)20-17(21-16(14)24)22-7-6-18-10-22/h6-11,13H,3-5H2,1-2H3,(H,20,21,24).
What are the key properties of 4-(1-cyclobutylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one?
4-(1-cyclobutylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 324.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclobutylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 138596941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).