N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H25F3N4O3 — CID 2883890

IUPACN-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)cc1OC
InChIInChI=1S/C24H25F3N4O3/c1-30(14-15-7-5-4-6-8-15)23(32)17-13-28-31-21(24(25,26)27)12-18(29-22(17)31)16-9-10-19(33-2)20(11-16)34-3/h4-11,13,18,21,29H,12,14H2,1-3H3
InChIKeyJCWLWHLQMNHUDO-UHFFFAOYSA-N
MW474.48 g/mol
LogP4.83
Rot. Bonds6

About N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2883890) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2883890
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC NameN-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)cc1OC
InChIInChI=1S/C24H25F3N4O3/c1-30(14-15-7-5-4-6-8-15)23(32)17-13-28-31-21(24(25,26)27)12-18(29-22(17)31)16-9-10-19(33-2)20(11-16)34-3/h4-11,13,18,21,29H,12,14H2,1-3H3
InChIKeyJCWLWHLQMNHUDO-UHFFFAOYSA-N
XLogP4.83
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2883890) is N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(C2CC(C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)cc1OC.
What is the InChIKey of N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JCWLWHLQMNHUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-30(14-15-7-5-4-6-8-15)23(32)17-13-28-31-21(24(25,26)27)12-18(29-22(17)31)16-9-10-19(33-2)20(11-16)34-3/h4-11,13,18,21,29H,12,14H2,1-3H3.
What are the key properties of N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 474.48 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2883890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).