N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C28H32FN5O — CID 91885485

IUPACN-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(F)cc2)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C28H32FN5O/c1-28(2,3)25-18-26-30-23(17-24(34(26)31-25)21-11-13-22(29)14-12-21)27(35)33(16-15-32(4)5)19-20-9-7-6-8-10-20/h6-14,17-18H,15-16,19H2,1-5H3
InChIKeyGMFHHCFJJZWFBW-UHFFFAOYSA-N
MW473.60 g/mol
LogP5.04
Rot. Bonds7

About N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 91885485) has the molecular formula C28H32FN5O and a molecular weight of 473.60 g/mol. Its IUPAC name is N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID91885485
Molecular FormulaC28H32FN5O
Molecular Weight473.60 g/mol
Exact Mass473.26
IUPAC NameN-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(F)cc2)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C28H32FN5O/c1-28(2,3)25-18-26-30-23(17-24(34(26)31-25)21-11-13-22(29)14-12-21)27(35)33(16-15-32(4)5)19-20-9-7-6-8-10-20/h6-14,17-18H,15-16,19H2,1-5H3
InChIKeyGMFHHCFJJZWFBW-UHFFFAOYSA-N
XLogP5.04
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 91885485) is N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is CN(C)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(F)cc2)n2nc(C(C)(C)C)cc2n1.
What is the InChIKey of N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is GMFHHCFJJZWFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O/c1-28(2,3)25-18-26-30-23(17-24(34(26)31-25)21-11-13-22(29)14-12-21)27(35)33(16-15-32(4)5)19-20-9-7-6-8-10-20/h6-14,17-18H,15-16,19H2,1-5H3.
What are the key properties of N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 91885485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).