N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C24H18BrF3N6O — CID 19324686

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)c1cc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C24H18BrF3N6O/c1-2-33-20(17(25)12-30-33)13-29-23(35)19-11-22-31-18(10-21(24(26,27)28)34(22)32-19)16-8-7-14-5-3-4-6-15(14)9-16/h3-12H,2,13H2,1H3,(H,29,35)
InChIKeyNHXOVBIHVVXTTH-UHFFFAOYSA-N
MW543.35 g/mol
LogP5.48
Rot. Bonds5

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19324686) has the molecular formula C24H18BrF3N6O and a molecular weight of 543.35 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19324686
Molecular FormulaC24H18BrF3N6O
Molecular Weight543.35 g/mol
Exact Mass542.07
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)c1cc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C24H18BrF3N6O/c1-2-33-20(17(25)12-30-33)13-29-23(35)19-11-22-31-18(10-21(24(26,27)28)34(22)32-19)16-8-7-14-5-3-4-6-15(14)9-16/h3-12H,2,13H2,1H3,(H,29,35)
InChIKeyNHXOVBIHVVXTTH-UHFFFAOYSA-N
XLogP5.48
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.35
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58945732
Benzamide, N-cyclopropyl-4-[6-[difluoro(3-fluorophenyl)methyl]-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methyl-
CID 71735119
3-bromo-N-butyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1921960
5-[2-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-3H-isoindol-1-one
CID 154700581
N-[3-(1H-imidazol-1-yl)propyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 650076
N-(3-(3-(6-(2-(dimethylamino)ethylamino)pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 45375869
N-(3-(3-(4-(pyrrolidin-1-ylmethyl)phenyl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880105
N-(3-(3-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880226
N-(3-(2-(2-(2-(pyrrolidin-1-yl)ethylamino)pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46883719
N-(2-(4-amino-3-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-methylpropyl)isonicotinamide
CID 56602554
5-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2H-isoquinolin-1-one
CID 57398540

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19324686) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1ncc(Br)c1CNC(=O)c1cc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NHXOVBIHVVXTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrF3N6O/c1-2-33-20(17(25)12-30-33)13-29-23(35)19-11-22-31-18(10-21(24(26,27)28)34(22)32-19)16-8-7-14-5-3-4-6-15(14)9-16/h3-12H,2,13H2,1H3,(H,29,35).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 543.35 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19324686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).