N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H14F2N4O — CID 652197

IUPACN-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3)c2n1
InChIInChI=1S/C16H14F2N4O/c1-10-7-13(14(17)18)22-15(21-10)12(9-20-22)16(23)19-8-11-5-3-2-4-6-11/h2-7,9,14H,8H2,1H3,(H,19,23)
InChIKeyFLJGBOFFLPKDOI-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.91
Rot. Bonds4

About N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 652197) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID652197
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3)c2n1
InChIInChI=1S/C16H14F2N4O/c1-10-7-13(14(17)18)22-15(21-10)12(9-20-22)16(23)19-8-11-5-3-2-4-6-11/h2-7,9,14H,8H2,1H3,(H,19,23)
InChIKeyFLJGBOFFLPKDOI-UHFFFAOYSA-N
XLogP2.91
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 652197) is N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3)c2n1.
What is the InChIKey of N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FLJGBOFFLPKDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c1-10-7-13(14(17)18)22-15(21-10)12(9-20-22)16(23)19-8-11-5-3-2-4-6-11/h2-7,9,14H,8H2,1H3,(H,19,23).
What are the key properties of N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 652197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).