3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide

C21H24N4O — CID 68751940

IUPAC3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1nn2cccnc2c1-c1ccccc1
InChIInChI=1S/C21H24N4O/c26-18(13-12-16-8-3-1-4-9-16)23-20-19(17-10-5-2-6-11-17)21-22-14-7-15-25(21)24-20/h2,5-7,10-11,14-16H,1,3-4,8-9,12-13H2,(H,23,24,26)
InChIKeyAZWROVVCAPQGTH-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.70
Rot. Bonds5

About 3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide

3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide (PubChem CID 68751940) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide
PubChem CID68751940
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1nn2cccnc2c1-c1ccccc1
InChIInChI=1S/C21H24N4O/c26-18(13-12-16-8-3-1-4-9-16)23-20-19(17-10-5-2-6-11-17)21-22-14-7-15-25(21)24-20/h2,5-7,10-11,14-16H,1,3-4,8-9,12-13H2,(H,23,24,26)
InChIKeyAZWROVVCAPQGTH-UHFFFAOYSA-N
XLogP4.70
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-chloro-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-cyclopentylpropanamide
CID 68748940
N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide
CID 68753487
3-cyclopentyl-N-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 68750022
3-cyclopropyl-N-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 68751455
3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46427586
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
3-cyclopentyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide
CID 90569470
3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
CID 27126992
3-cyclopentyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 16559332
N-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide
CID 68751364
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621185

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide (CID 68751940) is 3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide is O=C(CCC1CCCCC1)Nc1nn2cccnc2c1-c1ccccc1.
What is the InChIKey of 3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide?
The InChIKey is AZWROVVCAPQGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c26-18(13-12-16-8-3-1-4-9-16)23-20-19(17-10-5-2-6-11-17)21-22-14-7-15-25(21)24-20/h2,5-7,10-11,14-16H,1,3-4,8-9,12-13H2,(H,23,24,26).
What are the key properties of 3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide?
3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide has a molecular weight of 348.45 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide is sourced from PubChem (CID 68751940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).