N-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H15ClN4O — CID 1097825

IUPACN-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NCc3ccc(Cl)cc3)c2n1
InChIInChI=1S/C16H15ClN4O/c1-10-7-11(2)21-15(20-10)14(9-19-21)16(22)18-8-12-3-5-13(17)6-4-12/h3-7,9H,8H2,1-2H3,(H,18,22)
InChIKeyMXEPVTJXONEJLT-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.93
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1097825) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1097825
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC NameN-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NCc3ccc(Cl)cc3)c2n1
InChIInChI=1S/C16H15ClN4O/c1-10-7-11(2)21-15(20-10)14(9-19-21)16(22)18-8-12-3-5-13(17)6-4-12/h3-7,9H,8H2,1-2H3,(H,18,22)
InChIKeyMXEPVTJXONEJLT-UHFFFAOYSA-N
XLogP2.93
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1097825) is N-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)NCc3ccc(Cl)cc3)c2n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MXEPVTJXONEJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-10-7-11(2)21-15(20-10)14(9-19-21)16(22)18-8-12-3-5-13(17)6-4-12/h3-7,9H,8H2,1-2H3,(H,18,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 314.78 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1097825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).