2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

C16H17N5O3S — CID 84575518

IUPAC2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc2nccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)n2n1
InChIInChI=1S/C16H17N5O3S/c1-11-10-15-18-9-7-14(21(15)20-11)16(22)19-8-6-12-2-4-13(5-3-12)25(17,23)24/h2-5,7,9-10H,6,8H2,1H3,(H,19,22)(H2,17,23,24)
InChIKeyIAVDVFQOTBMOMN-UHFFFAOYSA-N
MW359.41 g/mol
LogP0.66
Rot. Bonds5

About 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 84575518) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID84575518
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc2nccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)n2n1
InChIInChI=1S/C16H17N5O3S/c1-11-10-15-18-9-7-14(21(15)20-11)16(22)19-8-6-12-2-4-13(5-3-12)25(17,23)24/h2-5,7,9-10H,6,8H2,1H3,(H,19,22)(H2,17,23,24)
InChIKeyIAVDVFQOTBMOMN-UHFFFAOYSA-N
XLogP0.66
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84576023
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide
CID 103511158
N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575522
N-[2-(4-sulfamoylphenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703991
4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide
CID 70717745
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84580650
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384826
N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575392
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
CID 7576744
N-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84580925

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 84575518) is 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is Cc1cc2nccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)n2n1.
What is the InChIKey of 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is IAVDVFQOTBMOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-11-10-15-18-9-7-14(21(15)20-11)16(22)19-8-6-12-2-4-13(5-3-12)25(17,23)24/h2-5,7,9-10H,6,8H2,1H3,(H,19,22)(H2,17,23,24).
What are the key properties of 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 84575518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).