N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H23F3N6O2 — CID 2972772

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1c(NC(=O)c2cnn3c2NC(c2ccccc2)CC3C(F)(F)F)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H23F3N6O2/c1-15-21(24(36)34(32(15)2)17-11-7-4-8-12-17)31-23(35)18-14-29-33-20(25(26,27)28)13-19(30-22(18)33)16-9-5-3-6-10-16/h3-12,14,19-20,30H,13H2,1-2H3,(H,31,35)
InChIKeyOMISKLSNHKSEHU-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.59
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2972772) has the molecular formula C25H23F3N6O2 and a molecular weight of 496.49 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2972772
Molecular FormulaC25H23F3N6O2
Molecular Weight496.49 g/mol
Exact Mass496.18
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1c(NC(=O)c2cnn3c2NC(c2ccccc2)CC3C(F)(F)F)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H23F3N6O2/c1-15-21(24(36)34(32(15)2)17-11-7-4-8-12-17)31-23(35)18-14-29-33-20(25(26,27)28)13-19(30-22(18)33)16-9-5-3-6-10-16/h3-12,14,19-20,30H,13H2,1-2H3,(H,31,35)
InChIKeyOMISKLSNHKSEHU-UHFFFAOYSA-N
XLogP4.59
TPSA85.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2972772) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1c(NC(=O)c2cnn3c2NC(c2ccccc2)CC3C(F)(F)F)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OMISKLSNHKSEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O2/c1-15-21(24(36)34(32(15)2)17-11-7-4-8-12-17)31-23(35)18-14-29-33-20(25(26,27)28)13-19(30-22(18)33)16-9-5-3-6-10-16/h3-12,14,19-20,30H,13H2,1-2H3,(H,31,35).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 496.49 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2972772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).