N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H19F3N6O — CID 19460204

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc12
InChIInChI=1S/C24H19F3N6O/c1-14-16(13-32(2)31-14)11-28-23(34)19-12-29-33-21(24(25,26)27)10-20(30-22(19)33)18-9-5-7-15-6-3-4-8-17(15)18/h3-10,12-13H,11H2,1-2H3,(H,28,34)
InChIKeyPFJQBNIIIAABAB-UHFFFAOYSA-N
MW464.45 g/mol
LogP4.54
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19460204) has the molecular formula C24H19F3N6O and a molecular weight of 464.45 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19460204
Molecular FormulaC24H19F3N6O
Molecular Weight464.45 g/mol
Exact Mass464.16
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc12
InChIInChI=1S/C24H19F3N6O/c1-14-16(13-32(2)31-14)11-28-23(34)19-12-29-33-21(24(25,26)27)10-20(30-22(19)33)18-9-5-7-15-6-3-4-8-17(15)18/h3-10,12-13H,11H2,1-2H3,(H,28,34)
InChIKeyPFJQBNIIIAABAB-UHFFFAOYSA-N
XLogP4.54
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19460204) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn(C)cc1CNC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc12.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PFJQBNIIIAABAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O/c1-14-16(13-32(2)31-14)11-28-23(34)19-12-29-33-21(24(25,26)27)10-20(30-22(19)33)18-9-5-7-15-6-3-4-8-17(15)18/h3-10,12-13H,11H2,1-2H3,(H,28,34).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 464.45 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19460204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).