7-(difluoromethyl)-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H24F2N4O — CID 3145573

IUPAC7-(difluoromethyl)-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cnn3c2NC(c2ccc(C)cc2)CC3C(F)F)cc1
InChIInChI=1S/C23H24F2N4O/c1-14-3-7-16(8-4-14)12-26-23(30)18-13-27-29-20(21(24)25)11-19(28-22(18)29)17-9-5-15(2)6-10-17/h3-10,13,19-21,28H,11-12H2,1-2H3,(H,26,30)
InChIKeyNJBURQOXYUIWRW-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.79
Rot. Bonds5

About 7-(difluoromethyl)-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3145573) has the molecular formula C23H24F2N4O and a molecular weight of 410.47 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3145573
Molecular FormulaC23H24F2N4O
Molecular Weight410.47 g/mol
Exact Mass410.19
IUPAC Name7-(difluoromethyl)-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cnn3c2NC(c2ccc(C)cc2)CC3C(F)F)cc1
InChIInChI=1S/C23H24F2N4O/c1-14-3-7-16(8-4-14)12-26-23(30)18-13-27-29-20(21(24)25)11-19(28-22(18)29)17-9-5-15(2)6-10-17/h3-10,13,19-21,28H,11-12H2,1-2H3,(H,26,30)
InChIKeyNJBURQOXYUIWRW-UHFFFAOYSA-N
XLogP4.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3145573) is 7-(difluoromethyl)-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(CNC(=O)c2cnn3c2NC(c2ccc(C)cc2)CC3C(F)F)cc1.
What is the InChIKey of 7-(difluoromethyl)-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NJBURQOXYUIWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O/c1-14-3-7-16(8-4-14)12-26-23(30)18-13-27-29-20(21(24)25)11-19(28-22(18)29)17-9-5-15(2)6-10-17/h3-10,13,19-21,28H,11-12H2,1-2H3,(H,26,30).
What are the key properties of 7-(difluoromethyl)-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3145573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).