2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C15H18N6OS — CID 74245419

IUPAC2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)NCc3snnc3C(C)C)cc(C)n2n1
InChIInChI=1S/C15H18N6OS/c1-8(2)14-12(23-20-18-14)7-16-15(22)11-6-10(4)21-13(17-11)5-9(3)19-21/h5-6,8H,7H2,1-4H3,(H,16,22)
InChIKeySUVSJJRBZJYCSV-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.25
Rot. Bonds4

About 2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 74245419) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID74245419
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)NCc3snnc3C(C)C)cc(C)n2n1
InChIInChI=1S/C15H18N6OS/c1-8(2)14-12(23-20-18-14)7-16-15(22)11-6-10(4)21-13(17-11)5-9(3)19-21/h5-6,8H,7H2,1-4H3,(H,16,22)
InChIKeySUVSJJRBZJYCSV-UHFFFAOYSA-N
XLogP2.25
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,7-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110851998
2,7-dimethyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 126435315
N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110853496
N-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 74250954
4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide
CID 119068538
N-benzyl-2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716800
N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110857591
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 74249294
(4R)-4,6-dimethyl-2-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95226532
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide
CID 74242271
N,2,7-trimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 131911096
2,7-dimethyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 131942924

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 74245419) is 2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cc2nc(C(=O)NCc3snnc3C(C)C)cc(C)n2n1.
What is the InChIKey of 2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is SUVSJJRBZJYCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-8(2)14-12(23-20-18-14)7-16-15(22)11-6-10(4)21-13(17-11)5-9(3)19-21/h5-6,8H,7H2,1-4H3,(H,16,22).
What are the key properties of 2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 330.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 74245419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).