N-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C10H10N4O3S — CID 166255196

IUPACN-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CS(=O)(=O)C1)c1cnn2cccnc12
InChIInChI=1S/C10H10N4O3S/c15-10(13-7-5-18(16,17)6-7)8-4-12-14-3-1-2-11-9(8)14/h1-4,7H,5-6H2,(H,13,15)
InChIKeyGOXMDBSRXRAZON-UHFFFAOYSA-N
MW266.28 g/mol
LogP-0.74
Rot. Bonds2

About N-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166255196) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is N-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166255196
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC NameN-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CS(=O)(=O)C1)c1cnn2cccnc12
InChIInChI=1S/C10H10N4O3S/c15-10(13-7-5-18(16,17)6-7)8-4-12-14-3-1-2-11-9(8)14/h1-4,7H,5-6H2,(H,13,15)
InChIKeyGOXMDBSRXRAZON-UHFFFAOYSA-N
XLogP-0.74
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 146136440
N-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142393172
N-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 47021323
N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414444
N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136567610
N-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056308
N-(4-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256529
N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1251288
N-(2-tert-butyl-2-carbamoyl-3H-thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122515306
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 100537133

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166255196) is N-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CS(=O)(=O)C1)c1cnn2cccnc12.
What is the InChIKey of N-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GOXMDBSRXRAZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c15-10(13-7-5-18(16,17)6-7)8-4-12-14-3-1-2-11-9(8)14/h1-4,7H,5-6H2,(H,13,15).
What are the key properties of N-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 266.28 g/mol, XLogP of -0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166255196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).