N-cyclopentyl-3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C25H33N5O4S — CID 53134790

IUPACN-cyclopentyl-3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2c(C(=O)NC3CCCC3)nn3c(C)cc(C)nc23)ccc1OC
InChIInChI=1S/C25H33N5O4S/c1-6-29(7-2)35(32,33)21-15-18(12-13-20(21)34-5)22-23(25(31)27-19-10-8-9-11-19)28-30-17(4)14-16(3)26-24(22)30/h12-15,19H,6-11H2,1-5H3,(H,27,31)
InChIKeyRGPGOCZHZGAPNT-UHFFFAOYSA-N
MW499.64 g/mol
LogP3.72
Rot. Bonds8

About N-cyclopentyl-3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-cyclopentyl-3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 53134790) has the molecular formula C25H33N5O4S and a molecular weight of 499.64 g/mol. Its IUPAC name is N-cyclopentyl-3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID53134790
Molecular FormulaC25H33N5O4S
Molecular Weight499.64 g/mol
Exact Mass499.23
IUPAC NameN-cyclopentyl-3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2c(C(=O)NC3CCCC3)nn3c(C)cc(C)nc23)ccc1OC
InChIInChI=1S/C25H33N5O4S/c1-6-29(7-2)35(32,33)21-15-18(12-13-20(21)34-5)22-23(25(31)27-19-10-8-9-11-19)28-30-17(4)14-16(3)26-24(22)30/h12-15,19H,6-11H2,1-5H3,(H,27,31)
InChIKeyRGPGOCZHZGAPNT-UHFFFAOYSA-N
XLogP3.72
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2,6-dimethylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134792
3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134795
3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134796
3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134613
3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134650
N-(2-methoxyphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134649
N-(3-ethylphenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134684
N-cyclopentyl-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 145078540
N-(4-ethoxyphenyl)-5,7-dimethyl-3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134765
N-(3-ethylphenyl)-5,7-dimethyl-3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134745
N-cyclopentyl-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 92645415
N-(3-ethylphenyl)-5,7-dimethyl-3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134774

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-cyclopentyl-3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 53134790) is N-cyclopentyl-3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(-c2c(C(=O)NC3CCCC3)nn3c(C)cc(C)nc23)ccc1OC.
What is the InChIKey of N-cyclopentyl-3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RGPGOCZHZGAPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4S/c1-6-29(7-2)35(32,33)21-15-18(12-13-20(21)34-5)22-23(25(31)27-19-10-8-9-11-19)28-30-17(4)14-16(3)26-24(22)30/h12-15,19H,6-11H2,1-5H3,(H,27,31).
What are the key properties of N-cyclopentyl-3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-cyclopentyl-3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 499.64 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 53134790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).