N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C24H21F3N4O3 — CID 2237135

IUPACN-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)Cc4ccccc4)cc3n2)cc1OC
InChIInChI=1S/C24H21F3N4O3/c1-30(14-15-7-5-4-6-8-15)23(32)18-13-22-28-17(12-21(24(25,26)27)31(22)29-18)16-9-10-19(33-2)20(11-16)34-3/h4-13H,14H2,1-3H3
InChIKeyNXEXQKSWXAWYQX-UHFFFAOYSA-N
MW470.45 g/mol
LogP4.70
Rot. Bonds6

About N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2237135) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2237135
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC NameN-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)Cc4ccccc4)cc3n2)cc1OC
InChIInChI=1S/C24H21F3N4O3/c1-30(14-15-7-5-4-6-8-15)23(32)18-13-22-28-17(12-21(24(25,26)27)31(22)29-18)16-9-10-19(33-2)20(11-16)34-3/h4-13H,14H2,1-3H3
InChIKeyNXEXQKSWXAWYQX-UHFFFAOYSA-N
XLogP4.70
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
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)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2237135) is N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)Cc4ccccc4)cc3n2)cc1OC.
What is the InChIKey of N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NXEXQKSWXAWYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-30(14-15-7-5-4-6-8-15)23(32)18-13-22-28-17(12-21(24(25,26)27)31(22)29-18)16-9-10-19(33-2)20(11-16)34-3/h4-13H,14H2,1-3H3.
What are the key properties of N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 470.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 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)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2237135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).