N-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H14F3N5O — CID 67132884

IUPACN-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2nc(-c3ccncc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C20H14F3N5O/c21-20(22,23)17-10-15(14-6-8-24-9-7-14)26-18-11-16(27-28(17)18)19(29)25-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,25,29)
InChIKeyPQSQEBDAMSOVSQ-UHFFFAOYSA-N
MW397.36 g/mol
LogP3.74
Rot. Bonds4

About N-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 67132884) has the molecular formula C20H14F3N5O and a molecular weight of 397.36 g/mol. Its IUPAC name is N-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID67132884
Molecular FormulaC20H14F3N5O
Molecular Weight397.36 g/mol
Exact Mass397.12
IUPAC NameN-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2nc(-c3ccncc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C20H14F3N5O/c21-20(22,23)17-10-15(14-6-8-24-9-7-14)26-18-11-16(27-28(17)18)19(29)25-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,25,29)
InChIKeyPQSQEBDAMSOVSQ-UHFFFAOYSA-N
XLogP3.74
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyanomethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3500033
5-(4-methoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4102077
5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
N-[(4-chlorophenyl)methyl]-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1111303
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4150353
N-(1-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19286368
5-(4-fluorophenyl)-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3122949
2-ethyl-6-[[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]hexanoic acid
CID 143022780
N-(2,3-dichlorophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1015607
N-[(2-methylpyrazol-3-yl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19292663
5-tert-butyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466177
5-(4-fluorophenyl)-N-(2-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451686

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 67132884) is N-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1ccccc1)c1cc2nc(-c3ccncc3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PQSQEBDAMSOVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O/c21-20(22,23)17-10-15(14-6-8-24-9-7-14)26-18-11-16(27-28(17)18)19(29)25-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,25,29).
What are the key properties of N-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 67132884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).