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

C22H21F3N4O — CID 73333863

IUPACN,N-dimethyl-3-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxypropan-1-amine
SMILESCN(C)CCCOc1nc2c(-c3ccc(C(F)(F)F)cc3)cnn2c2ccccc12
InChIInChI=1S/C22H21F3N4O/c1-28(2)12-5-13-30-21-17-6-3-4-7-19(17)29-20(27-21)18(14-26-29)15-8-10-16(11-9-15)22(23,24)25/h3-4,6-11,14H,5,12-13H2,1-2H3
InChIKeyYWPLPKDTQUPQNN-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.90
Rot. Bonds6

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

N,N-dimethyl-3-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxypropan-1-amine (PubChem CID 73333863) has the molecular formula C22H21F3N4O and a molecular weight of 414.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxypropan-1-amine
PubChem CID73333863
Molecular FormulaC22H21F3N4O
Molecular Weight414.43 g/mol
Exact Mass414.17
IUPAC NameN,N-dimethyl-3-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxypropan-1-amine
SMILESCN(C)CCCOc1nc2c(-c3ccc(C(F)(F)F)cc3)cnn2c2ccccc12
InChIInChI=1S/C22H21F3N4O/c1-28(2)12-5-13-30-21-17-6-3-4-7-19(17)29-20(27-21)18(14-26-29)15-8-10-16(11-9-15)22(23,24)25/h3-4,6-11,14H,5,12-13H2,1-2H3
InChIKeyYWPLPKDTQUPQNN-UHFFFAOYSA-N
XLogP4.90
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxypropan-1-amine (CID 73333863) is N,N-dimethyl-3-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxypropan-1-amine is CN(C)CCCOc1nc2c(-c3ccc(C(F)(F)F)cc3)cnn2c2ccccc12.
What is the InChIKey of N,N-dimethyl-3-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxypropan-1-amine?
The InChIKey is YWPLPKDTQUPQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O/c1-28(2)12-5-13-30-21-17-6-3-4-7-19(17)29-20(27-21)18(14-26-29)15-8-10-16(11-9-15)22(23,24)25/h3-4,6-11,14H,5,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxypropan-1-amine?
N,N-dimethyl-3-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxypropan-1-amine has a molecular weight of 414.43 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxypropan-1-amine is sourced from PubChem (CID 73333863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).