3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide

C20H20N6O — CID 59603987

IUPAC3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(-c2cnn3cc(-c4cnn(C)c4)cnc23)c1
InChIInChI=1S/C20H20N6O/c1-13(2)24-20(27)15-6-4-5-14(7-15)18-10-23-26-12-16(8-21-19(18)26)17-9-22-25(3)11-17/h4-13H,1-3H3,(H,24,27)
InChIKeyHSLQPXQCXISFHV-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.93
Rot. Bonds4

About 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide

3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide (PubChem CID 59603987) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide
PubChem CID59603987
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(-c2cnn3cc(-c4cnn(C)c4)cnc23)c1
InChIInChI=1S/C20H20N6O/c1-13(2)24-20(27)15-6-4-5-14(7-15)18-10-23-26-12-16(8-21-19(18)26)17-9-22-25(3)11-17/h4-13H,1-3H3,(H,24,27)
InChIKeyHSLQPXQCXISFHV-UHFFFAOYSA-N
XLogP2.93
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide (CID 59603987) is 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(-c2cnn3cc(-c4cnn(C)c4)cnc23)c1.
What is the InChIKey of 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is HSLQPXQCXISFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13(2)24-20(27)15-6-4-5-14(7-15)18-10-23-26-12-16(8-21-19(18)26)17-9-22-25(3)11-17/h4-13H,1-3H3,(H,24,27).
What are the key properties of 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide?
3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 360.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 59603987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).