N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanesulfonamide

C27H30N4O3S — CID 10051263

IUPACN-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C27H30N4O3S/c1-2-35(32,33)30-25-18-29-31-26(22-11-7-4-8-12-22)24(17-28-27(25)31)21-13-15-23(16-14-21)34-19-20-9-5-3-6-10-20/h3,5-6,9-10,13-18,22,30H,2,4,7-8,11-12,19H2,1H3
InChIKeyDYGAYYHUEGDYQY-UHFFFAOYSA-N
MW490.63 g/mol
LogP5.78
Rot. Bonds8

About N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanesulfonamide

N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanesulfonamide (PubChem CID 10051263) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanesulfonamide
PubChem CID10051263
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC NameN-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C27H30N4O3S/c1-2-35(32,33)30-25-18-29-31-26(22-11-7-4-8-12-22)24(17-28-27(25)31)21-13-15-23(16-14-21)34-19-20-9-5-3-6-10-20/h3,5-6,9-10,13-18,22,30H,2,4,7-8,11-12,19H2,1H3
InChIKeyDYGAYYHUEGDYQY-UHFFFAOYSA-N
XLogP5.78
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanesulfonamide?
The IUPAC name of N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanesulfonamide (CID 10051263) is N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12.
What is the InChIKey of N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanesulfonamide?
The InChIKey is DYGAYYHUEGDYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-2-35(32,33)30-25-18-29-31-26(22-11-7-4-8-12-22)24(17-28-27(25)31)21-13-15-23(16-14-21)34-19-20-9-5-3-6-10-20/h3,5-6,9-10,13-18,22,30H,2,4,7-8,11-12,19H2,1H3.
What are the key properties of N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanesulfonamide?
N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanesulfonamide has a molecular weight of 490.63 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 10051263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).