N-(2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C12H9N5O2S — CID 122515249

IUPACN-(2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1sccc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C12H9N5O2S/c13-10(18)9-8(2-5-20-9)16-12(19)7-6-15-17-4-1-3-14-11(7)17/h1-6H,(H2,13,18)(H,16,19)
InChIKeyBJWMGROIUZFATH-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.14
Rot. Bonds3

About N-(2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122515249) has the molecular formula C12H9N5O2S and a molecular weight of 287.30 g/mol. Its IUPAC name is N-(2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122515249
Molecular FormulaC12H9N5O2S
Molecular Weight287.30 g/mol
Exact Mass287.05
IUPAC NameN-(2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1sccc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C12H9N5O2S/c13-10(18)9-8(2-5-20-9)16-12(19)7-6-15-17-4-1-3-14-11(7)17/h1-6H,(H2,13,18)(H,16,19)
InChIKeyBJWMGROIUZFATH-UHFFFAOYSA-N
XLogP1.14
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Indiplon
CID 6450813
Lorediplon
CID 12004146
N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide
CID 127036564
2-[[2-([1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide
CID 2622550
3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide
CID 11281152
1-Propan-2-yl-3-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]urea
CID 11418298
2-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
CID 11516374
N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]pent-4-ynamide
CID 11618251
2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
CID 11669309
N-Butyl-N'-{3-[3-(thien-2-ylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl}urea
CID 11676105
N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]pent-4-enamide
CID 11718324
N-[3-[3-(2-Thienylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl}-cyclopropanecarboxamide
CID 20210634

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122515249) is N-(2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1sccc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-(2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BJWMGROIUZFATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2S/c13-10(18)9-8(2-5-20-9)16-12(19)7-6-15-17-4-1-3-14-11(7)17/h1-6H,(H2,13,18)(H,16,19).
What are the key properties of N-(2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 287.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122515249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).