2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C16H16N4OS — CID 24641461

IUPAC2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCSc1cccc(NC(=O)c2cnc3cc(C)nn3c2C)c1
InChIInChI=1S/C16H16N4OS/c1-10-7-15-17-9-14(11(2)20(15)19-10)16(21)18-12-5-4-6-13(8-12)22-3/h4-9H,1-3H3,(H,18,21)
InChIKeyKDOBBQWRUYUNDW-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.32
Rot. Bonds3

About 2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 24641461) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID24641461
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCSc1cccc(NC(=O)c2cnc3cc(C)nn3c2C)c1
InChIInChI=1S/C16H16N4OS/c1-10-7-15-17-9-14(11(2)20(15)19-10)16(21)18-12-5-4-6-13(8-12)22-3/h4-9H,1-3H3,(H,18,21)
InChIKeyKDOBBQWRUYUNDW-UHFFFAOYSA-N
XLogP3.32
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24655628
2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714222
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 80959344
2-[2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241897
2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
CID 1020120
N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 125421805
5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 55153069
N-(3-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 695407
2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide
CID 106685166
2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 62696101
2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
CID 4802933

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 24641461) is 2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is CSc1cccc(NC(=O)c2cnc3cc(C)nn3c2C)c1.
What is the InChIKey of 2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is KDOBBQWRUYUNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-10-7-15-17-9-14(11(2)20(15)19-10)16(21)18-12-5-4-6-13(8-12)22-3/h4-9H,1-3H3,(H,18,21).
What are the key properties of 2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 24641461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).