N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide

C28H32N4O3S — CID 15958097

IUPACN-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C28H32N4O3S/c1-20(2)36(33,34)31-26-18-30-32-27(23-11-7-4-8-12-23)25(17-29-28(26)32)22-13-15-24(16-14-22)35-19-21-9-5-3-6-10-21/h3,5-6,9-10,13-18,20,23,31H,4,7-8,11-12,19H2,1-2H3
InChIKeyVDZIUBZBJYYGCO-UHFFFAOYSA-N
MW504.66 g/mol
LogP6.17
Rot. Bonds8

About N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide

N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide (PubChem CID 15958097) has the molecular formula C28H32N4O3S and a molecular weight of 504.66 g/mol. Its IUPAC name is N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide
PubChem CID15958097
Molecular FormulaC28H32N4O3S
Molecular Weight504.66 g/mol
Exact Mass504.22
IUPAC NameN-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C28H32N4O3S/c1-20(2)36(33,34)31-26-18-30-32-27(23-11-7-4-8-12-23)25(17-29-28(26)32)22-13-15-24(16-14-22)35-19-21-9-5-3-6-10-21/h3,5-6,9-10,13-18,20,23,31H,4,7-8,11-12,19H2,1-2H3
InChIKeyVDZIUBZBJYYGCO-UHFFFAOYSA-N
XLogP6.17
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.66
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]amino]-4-oxobutanoate
CID 15958094
N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15958107
7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15957966
7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15958077
N,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58636570
7-cyclohexyl-6-(4-iodophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958113
[6-[4-(cyclohexa-1,3-dien-1-ylmethoxy)phenyl]-7-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl]methanol
CID 142837939
7-cyclohexyl-6-(4-methylphenyl)-3-nitrosopyrazolo[1,5-a]pyrimidine;ethane;3-methylthiophene;prop-2-enylbenzene
CID 142838216
(2S)-3-phenyl-2-[[6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]propanoic acid
CID 58636572
3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one
CID 66879244
5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
CID 146533306
7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958130

Frequently Asked Questions

What is the IUPAC name of N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide (CID 15958097) is N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide is CC(C)S(=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]propane-2-sulfonamide?
The InChIKey is VDZIUBZBJYYGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3S/c1-20(2)36(33,34)31-26-18-30-32-27(23-11-7-4-8-12-23)25(17-29-28(26)32)22-13-15-24(16-14-22)35-19-21-9-5-3-6-10-21/h3,5-6,9-10,13-18,20,23,31H,4,7-8,11-12,19H2,1-2H3.
What are the key properties of N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide?
N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide has a molecular weight of 504.66 g/mol, XLogP of 6.17, 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]propane-2-sulfonamide is sourced from PubChem (CID 15958097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).