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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Related Compounds

N-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 59603870
N-cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 59603873
N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 110486267
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide
CID 68775357
3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119059594
N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486270
N-[(1R,2S)-2-amino-3,3,3-trifluoro-1-phenylpropyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 59603903
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 59603955
1-[3-[6-[4-[(2R,6S)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone
CID 167544562
N-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide
CID 10133022
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
1-[2,6-dimethoxy-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-4,4-difluorobutan-1-one
CID 159738565

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).