N-(2-fluoro-4-methylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C16H15FN4O — CID 53015033

IUPACN-(2-fluoro-4-methylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)n3nc(C)cc3n2)c(F)c1
InChIInChI=1S/C16H15FN4O/c1-9-4-5-13(12(17)6-9)19-16(22)14-8-11(3)21-15(18-14)7-10(2)20-21/h4-8H,1-3H3,(H,19,22)
InChIKeyIGNDHNSCFUNXNK-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.05
Rot. Bonds2

About N-(2-fluoro-4-methylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(2-fluoro-4-methylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53015033) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53015033
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC NameN-(2-fluoro-4-methylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)n3nc(C)cc3n2)c(F)c1
InChIInChI=1S/C16H15FN4O/c1-9-4-5-13(12(17)6-9)19-16(22)14-8-11(3)21-15(18-14)7-10(2)20-21/h4-8H,1-3H3,(H,19,22)
InChIKeyIGNDHNSCFUNXNK-UHFFFAOYSA-N
XLogP3.05
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53015033) is N-(2-fluoro-4-methylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cc(C)n3nc(C)cc3n2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is IGNDHNSCFUNXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-9-4-5-13(12(17)6-9)19-16(22)14-8-11(3)21-15(18-14)7-10(2)20-21/h4-8H,1-3H3,(H,19,22).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(2-fluoro-4-methylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53015033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).