N-cyclopropyl-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylsulfamoyl)benzamide

C17H17N5O3S — CID 70757744

IUPACN-cyclopropyl-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylsulfamoyl)benzamide
SMILESO=C(NC1CC1)c1ccc(S(=O)(=O)NCc2cnn3cccnc23)cc1
InChIInChI=1S/C17H17N5O3S/c23-17(21-14-4-5-14)12-2-6-15(7-3-12)26(24,25)20-11-13-10-19-22-9-1-8-18-16(13)22/h1-3,6-10,14,20H,4-5,11H2,(H,21,23)
InChIKeyUKDFHBUMKMGUII-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.10
Rot. Bonds6

About N-cyclopropyl-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylsulfamoyl)benzamide

N-cyclopropyl-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylsulfamoyl)benzamide (PubChem CID 70757744) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-cyclopropyl-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylsulfamoyl)benzamide
PubChem CID70757744
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN-cyclopropyl-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylsulfamoyl)benzamide
SMILESO=C(NC1CC1)c1ccc(S(=O)(=O)NCc2cnn3cccnc23)cc1
InChIInChI=1S/C17H17N5O3S/c23-17(21-14-4-5-14)12-2-6-15(7-3-12)26(24,25)20-11-13-10-19-22-9-1-8-18-16(13)22/h1-3,6-10,14,20H,4-5,11H2,(H,21,23)
InChIKeyUKDFHBUMKMGUII-UHFFFAOYSA-N
XLogP1.10
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-cyclopropyl-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylsulfamoyl)benzamide (CID 70757744) is N-cyclopropyl-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylsulfamoyl)benzamide is O=C(NC1CC1)c1ccc(S(=O)(=O)NCc2cnn3cccnc23)cc1.
What is the InChIKey of N-cyclopropyl-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylsulfamoyl)benzamide?
The InChIKey is UKDFHBUMKMGUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c23-17(21-14-4-5-14)12-2-6-15(7-3-12)26(24,25)20-11-13-10-19-22-9-1-8-18-16(13)22/h1-3,6-10,14,20H,4-5,11H2,(H,21,23).
What are the key properties of N-cyclopropyl-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylsulfamoyl)benzamide?
N-cyclopropyl-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylsulfamoyl)benzamide has a molecular weight of 371.42 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 70757744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).