5-(3,4-dimethoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H26F3N5O3 — CID 5164302

IUPAC5-(3,4-dimethoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(F)(F)F)n3ncc(C(=O)N(C)CCc4ccccn4)c3N2)cc1OC
InChIInChI=1S/C24H26F3N5O3/c1-31(11-9-16-6-4-5-10-28-16)23(33)17-14-29-32-21(24(25,26)27)13-18(30-22(17)32)15-7-8-19(34-2)20(12-15)35-3/h4-8,10,12,14,18,21,30H,9,11,13H2,1-3H3
InChIKeyKONZTNHQEOKCAJ-UHFFFAOYSA-N
MW489.50 g/mol
LogP4.27
Rot. Bonds7

About 5-(3,4-dimethoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(3,4-dimethoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5164302) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID5164302
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC Name5-(3,4-dimethoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(F)(F)F)n3ncc(C(=O)N(C)CCc4ccccn4)c3N2)cc1OC
InChIInChI=1S/C24H26F3N5O3/c1-31(11-9-16-6-4-5-10-28-16)23(33)17-14-29-32-21(24(25,26)27)13-18(30-22(17)32)15-7-8-19(34-2)20(12-15)35-3/h4-8,10,12,14,18,21,30H,9,11,13H2,1-3H3
InChIKeyKONZTNHQEOKCAJ-UHFFFAOYSA-N
XLogP4.27
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3,4-dimethoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5164302) is 5-(3,4-dimethoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-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)CCc4ccccn4)c3N2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KONZTNHQEOKCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-31(11-9-16-6-4-5-10-28-16)23(33)17-14-29-32-21(24(25,26)27)13-18(30-22(17)32)15-7-8-19(34-2)20(12-15)35-3/h4-8,10,12,14,18,21,30H,9,11,13H2,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(3,4-dimethoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 489.50 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5164302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).