N-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine

C19H12ClF3N4O — CID 59662415

IUPACN-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFC(F)(F)Oc1ccc(-c2cnn3ccc(Nc4cccc(Cl)c4)nc23)cc1
InChIInChI=1S/C19H12ClF3N4O/c20-13-2-1-3-14(10-13)25-17-8-9-27-18(26-17)16(11-24-27)12-4-6-15(7-5-12)28-19(21,22)23/h1-11H,(H,25,26)
InChIKeyFQROAYREILZFBV-UHFFFAOYSA-N
MW404.78 g/mol
LogP5.69
Rot. Bonds4

About N-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine

N-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 59662415) has the molecular formula C19H12ClF3N4O and a molecular weight of 404.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID59662415
Molecular FormulaC19H12ClF3N4O
Molecular Weight404.78 g/mol
Exact Mass404.07
IUPAC NameN-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFC(F)(F)Oc1ccc(-c2cnn3ccc(Nc4cccc(Cl)c4)nc23)cc1
InChIInChI=1S/C19H12ClF3N4O/c20-13-2-1-3-14(10-13)25-17-8-9-27-18(26-17)16(11-24-27)12-4-6-15(7-5-12)28-19(21,22)23/h1-11H,(H,25,26)
InChIKeyFQROAYREILZFBV-UHFFFAOYSA-N
XLogP5.69
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.78
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 59662415) is N-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is FC(F)(F)Oc1ccc(-c2cnn3ccc(Nc4cccc(Cl)c4)nc23)cc1.
What is the InChIKey of N-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is FQROAYREILZFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O/c20-13-2-1-3-14(10-13)25-17-8-9-27-18(26-17)16(11-24-27)12-4-6-15(7-5-12)28-19(21,22)23/h1-11H,(H,25,26).
What are the key properties of N-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 404.78 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 59662415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).