N-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C9H6N6OS — CID 47021323

IUPACN-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1nncs1)c1cnn2cccnc12
InChIInChI=1S/C9H6N6OS/c16-8(13-9-14-11-5-17-9)6-4-12-15-3-1-2-10-7(6)15/h1-5H,(H,13,14,16)
InChIKeyGNMABQPREDIAFY-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.83
Rot. Bonds2

About N-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 47021323) has the molecular formula C9H6N6OS and a molecular weight of 246.26 g/mol. Its IUPAC name is N-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID47021323
Molecular FormulaC9H6N6OS
Molecular Weight246.26 g/mol
Exact Mass246.03
IUPAC NameN-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1nncs1)c1cnn2cccnc12
InChIInChI=1S/C9H6N6OS/c16-8(13-9-14-11-5-17-9)6-4-12-15-3-1-2-10-7(6)15/h1-5H,(H,13,14,16)
InChIKeyGNMABQPREDIAFY-UHFFFAOYSA-N
XLogP0.83
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414444
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-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414583
dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate
CID 5112652
N-(3-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4151653
N-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142393172
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
N-[2-(2-methylphenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70498397
N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414447

Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 47021323) is N-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1nncs1)c1cnn2cccnc12.
What is the InChIKey of N-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GNMABQPREDIAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6OS/c16-8(13-9-14-11-5-17-9)6-4-12-15-3-1-2-10-7(6)15/h1-5H,(H,13,14,16).
What are the key properties of N-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 246.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 47021323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).