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

C21H15Cl2F3N4O — CID 90717578

IUPAC7-(3,4-dichlorophenyl)-5-methyl-N-phenyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)Nc1ccccc1
InChIInChI=1S/C21H15Cl2F3N4O/c1-11-18(20(31)28-13-5-3-2-4-6-13)19(12-7-8-14(22)15(23)9-12)30-17(27-11)10-16(29-30)21(24,25)26/h2-10,18-19H,1H3,(H,28,31)
InChIKeyOVJZCFVWRGICAA-UHFFFAOYSA-N
MW467.28 g/mol
LogP6.16
Rot. Bonds3

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

7-(3,4-dichlorophenyl)-5-methyl-N-phenyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 90717578) has the molecular formula C21H15Cl2F3N4O and a molecular weight of 467.28 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-5-methyl-N-phenyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-5-methyl-N-phenyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID90717578
Molecular FormulaC21H15Cl2F3N4O
Molecular Weight467.28 g/mol
Exact Mass466.06
IUPAC Name7-(3,4-dichlorophenyl)-5-methyl-N-phenyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)Nc1ccccc1
InChIInChI=1S/C21H15Cl2F3N4O/c1-11-18(20(31)28-13-5-3-2-4-6-13)19(12-7-8-14(22)15(23)9-12)30-17(27-11)10-16(29-30)21(24,25)26/h2-10,18-19H,1H3,(H,28,31)
InChIKeyOVJZCFVWRGICAA-UHFFFAOYSA-N
XLogP6.16
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.28
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-N-phenyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-N-phenyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 90717578) is 7-(3,4-dichlorophenyl)-5-methyl-N-phenyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-5-methyl-N-phenyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3,4-dichlorophenyl)-5-methyl-N-phenyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)Nc1ccccc1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-5-methyl-N-phenyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is OVJZCFVWRGICAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2F3N4O/c1-11-18(20(31)28-13-5-3-2-4-6-13)19(12-7-8-14(22)15(23)9-12)30-17(27-11)10-16(29-30)21(24,25)26/h2-10,18-19H,1H3,(H,28,31).
What are the key properties of 7-(3,4-dichlorophenyl)-5-methyl-N-phenyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3,4-dichlorophenyl)-5-methyl-N-phenyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 467.28 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-5-methyl-N-phenyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 90717578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).