N,N-dimethyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxyethanamine

C21H19F3N4O — CID 73333861

IUPACN,N-dimethyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxyethanamine
SMILESCN(C)CCOc1nc2c(-c3ccc(C(F)(F)F)cc3)cnn2c2ccccc12
InChIInChI=1S/C21H19F3N4O/c1-27(2)11-12-29-20-16-5-3-4-6-18(16)28-19(26-20)17(13-25-28)14-7-9-15(10-8-14)21(22,23)24/h3-10,13H,11-12H2,1-2H3
InChIKeyGFZIOKVVQXICQS-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.51
Rot. Bonds5

About N,N-dimethyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxyethanamine

N,N-dimethyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxyethanamine (PubChem CID 73333861) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxyethanamine
PubChem CID73333861
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC NameN,N-dimethyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxyethanamine
SMILESCN(C)CCOc1nc2c(-c3ccc(C(F)(F)F)cc3)cnn2c2ccccc12
InChIInChI=1S/C21H19F3N4O/c1-27(2)11-12-29-20-16-5-3-4-6-18(16)28-19(26-20)17(13-25-28)14-7-9-15(10-8-14)21(22,23)24/h3-10,13H,11-12H2,1-2H3
InChIKeyGFZIOKVVQXICQS-UHFFFAOYSA-N
XLogP4.51
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxyethanamine?
The IUPAC name of N,N-dimethyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxyethanamine (CID 73333861) is N,N-dimethyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxyethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxyethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxyethanamine is CN(C)CCOc1nc2c(-c3ccc(C(F)(F)F)cc3)cnn2c2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxyethanamine?
The InChIKey is GFZIOKVVQXICQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c1-27(2)11-12-29-20-16-5-3-4-6-18(16)28-19(26-20)17(13-25-28)14-7-9-15(10-8-14)21(22,23)24/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxyethanamine?
N,N-dimethyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxyethanamine has a molecular weight of 400.40 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxyethanamine is sourced from PubChem (CID 73333861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).