phenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone

C25H20F3N5O2 — CID 1100830

IUPACphenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C25H20F3N5O2/c26-25(27,28)21-15-19(17-7-3-1-4-8-17)29-22-16-20(30-33(21)22)24(35)32-13-11-31(12-14-32)23(34)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKeyZUPGHKKHKOINAJ-UHFFFAOYSA-N
MW479.46 g/mol
LogP4.01
Rot. Bonds3

About phenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone

phenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone (PubChem CID 1100830) has the molecular formula C25H20F3N5O2 and a molecular weight of 479.46 g/mol. Its IUPAC name is phenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone
PubChem CID1100830
Molecular FormulaC25H20F3N5O2
Molecular Weight479.46 g/mol
Exact Mass479.16
IUPAC Namephenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C25H20F3N5O2/c26-25(27,28)21-15-19(17-7-3-1-4-8-17)29-22-16-20(30-33(21)22)24(35)32-13-11-31(12-14-32)23(34)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKeyZUPGHKKHKOINAJ-UHFFFAOYSA-N
XLogP4.01
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone (CID 1100830) is phenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)CC1.
What is the InChIKey of phenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone?
The InChIKey is ZUPGHKKHKOINAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O2/c26-25(27,28)21-15-19(17-7-3-1-4-8-17)29-22-16-20(30-33(21)22)24(35)32-13-11-31(12-14-32)23(34)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2.
What are the key properties of phenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone?
phenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone has a molecular weight of 479.46 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1100830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).