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

C23H19F3N4O2 — CID 1111019

IUPACN-benzyl-5-(4-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3n2)cc1
InChIInChI=1S/C23H19F3N4O2/c1-29(14-15-6-4-3-5-7-15)22(31)18-13-27-30-20(23(24,25)26)12-19(28-21(18)30)16-8-10-17(32-2)11-9-16/h3-13H,14H2,1-2H3
InChIKeyYJBSMVLFICCSJH-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.70
Rot. Bonds5

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

N-benzyl-5-(4-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1111019) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is N-benzyl-5-(4-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1111019
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC NameN-benzyl-5-(4-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3n2)cc1
InChIInChI=1S/C23H19F3N4O2/c1-29(14-15-6-4-3-5-7-15)22(31)18-13-27-30-20(23(24,25)26)12-19(28-21(18)30)16-8-10-17(32-2)11-9-16/h3-13H,14H2,1-2H3
InChIKeyYJBSMVLFICCSJH-UHFFFAOYSA-N
XLogP4.70
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-benzyl-5-(4-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1111019) is N-benzyl-5-(4-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(4-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3n2)cc1.
What is the InChIKey of N-benzyl-5-(4-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YJBSMVLFICCSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-29(14-15-6-4-3-5-7-15)22(31)18-13-27-30-20(23(24,25)26)12-19(28-21(18)30)16-8-10-17(32-2)11-9-16/h3-13H,14H2,1-2H3.
What are the key properties of N-benzyl-5-(4-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-benzyl-5-(4-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1111019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).