N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-N-propyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C25H23Cl2F3N4O — CID 90710510

IUPACN-benzyl-7-(3,4-dichlorophenyl)-5-methyl-N-propyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)C1C(C)=Nc2cc(C(F)(F)F)nn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H23Cl2F3N4O/c1-3-11-33(14-16-7-5-4-6-8-16)24(35)22-15(2)31-21-13-20(25(28,29)30)32-34(21)23(22)17-9-10-18(26)19(27)12-17/h4-10,12-13,22-23H,3,11,14H2,1-2H3
InChIKeyWYDRVJRFKOTUIT-UHFFFAOYSA-N
MW523.39 g/mol
LogP6.96
Rot. Bonds6

About N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-N-propyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-N-propyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 90710510) has the molecular formula C25H23Cl2F3N4O and a molecular weight of 523.39 g/mol. Its IUPAC name is N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-N-propyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-(3,4-dichlorophenyl)-5-methyl-N-propyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID90710510
Molecular FormulaC25H23Cl2F3N4O
Molecular Weight523.39 g/mol
Exact Mass522.12
IUPAC NameN-benzyl-7-(3,4-dichlorophenyl)-5-methyl-N-propyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)C1C(C)=Nc2cc(C(F)(F)F)nn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H23Cl2F3N4O/c1-3-11-33(14-16-7-5-4-6-8-16)24(35)22-15(2)31-21-13-20(25(28,29)30)32-34(21)23(22)17-9-10-18(26)19(27)12-17/h4-10,12-13,22-23H,3,11,14H2,1-2H3
InChIKeyWYDRVJRFKOTUIT-UHFFFAOYSA-N
XLogP6.96
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.39
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-N-propyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-N-propyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 90710510) is N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-N-propyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-N-propyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-N-propyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCN(Cc1ccccc1)C(=O)C1C(C)=Nc2cc(C(F)(F)F)nn2C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-N-propyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is WYDRVJRFKOTUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2F3N4O/c1-3-11-33(14-16-7-5-4-6-8-16)24(35)22-15(2)31-21-13-20(25(28,29)30)32-34(21)23(22)17-9-10-18(26)19(27)12-17/h4-10,12-13,22-23H,3,11,14H2,1-2H3.
What are the key properties of N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-N-propyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-N-propyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 523.39 g/mol, XLogP of 6.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-N-propyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 90710510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).