N-[1-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propan-2-yl]acetamide

C24H21F3N4O — CID 66964459

IUPACN-[1-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(Cc1ccccc1)c1ccnc2c(-c3ccc(C(F)(F)F)cc3)cnn12
InChIInChI=1S/C24H21F3N4O/c1-16(32)30-23(2,14-17-6-4-3-5-7-17)21-12-13-28-22-20(15-29-31(21)22)18-8-10-19(11-9-18)24(25,26)27/h3-13,15H,14H2,1-2H3,(H,30,32)
InChIKeyCBVWEXBYSSNIJH-UHFFFAOYSA-N
MW438.45 g/mol
LogP5.01
Rot. Bonds5

About N-[1-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propan-2-yl]acetamide

N-[1-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propan-2-yl]acetamide (PubChem CID 66964459) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is N-[1-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propan-2-yl]acetamide
PubChem CID66964459
Molecular FormulaC24H21F3N4O
Molecular Weight438.45 g/mol
Exact Mass438.17
IUPAC NameN-[1-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(Cc1ccccc1)c1ccnc2c(-c3ccc(C(F)(F)F)cc3)cnn12
InChIInChI=1S/C24H21F3N4O/c1-16(32)30-23(2,14-17-6-4-3-5-7-17)21-12-13-28-22-20(15-29-31(21)22)18-8-10-19(11-9-18)24(25,26)27/h3-13,15H,14H2,1-2H3,(H,30,32)
InChIKeyCBVWEXBYSSNIJH-UHFFFAOYSA-N
XLogP5.01
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propan-2-yl]acetamide?
The IUPAC name of N-[1-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propan-2-yl]acetamide (CID 66964459) is N-[1-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propan-2-yl]acetamide is CC(=O)NC(C)(Cc1ccccc1)c1ccnc2c(-c3ccc(C(F)(F)F)cc3)cnn12.
What is the InChIKey of N-[1-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propan-2-yl]acetamide?
The InChIKey is CBVWEXBYSSNIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O/c1-16(32)30-23(2,14-17-6-4-3-5-7-17)21-12-13-28-22-20(15-29-31(21)22)18-8-10-19(11-9-18)24(25,26)27/h3-13,15H,14H2,1-2H3,(H,30,32).
What are the key properties of N-[1-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propan-2-yl]acetamide?
N-[1-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propan-2-yl]acetamide has a molecular weight of 438.45 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propan-2-yl]acetamide is sourced from PubChem (CID 66964459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).