N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine

C20H22F3N5O — CID 126473906

IUPACN-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cccc(-c2cnn3c(NCCCN4CCOCC4)ccnc23)c1
InChIInChI=1S/C20H22F3N5O/c21-20(22,23)16-4-1-3-15(13-16)17-14-26-28-18(5-7-25-19(17)28)24-6-2-8-27-9-11-29-12-10-27/h1,3-5,7,13-14,24H,2,6,8-12H2
InChIKeyYWHVKZDEFKGNRI-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.55
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine

N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126473906) has the molecular formula C20H22F3N5O and a molecular weight of 405.42 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID126473906
Molecular FormulaC20H22F3N5O
Molecular Weight405.42 g/mol
Exact Mass405.18
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cccc(-c2cnn3c(NCCCN4CCOCC4)ccnc23)c1
InChIInChI=1S/C20H22F3N5O/c21-20(22,23)16-4-1-3-15(13-16)17-14-26-28-18(5-7-25-19(17)28)24-6-2-8-27-9-11-29-12-10-27/h1,3-5,7,13-14,24H,2,6,8-12H2
InChIKeyYWHVKZDEFKGNRI-UHFFFAOYSA-N
XLogP3.55
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126472969
3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126475082
3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103260
4-[3-[5-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine
CID 22129191
3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride
CID 17195962
N-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 169196849
5-methyl-N-(2-morpholin-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665651
6-N-(3-morpholin-4-ylpropyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143899
5-[3,5-bis(trifluoromethyl)phenyl]-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 87621675
N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 126472157
1-(3-morpholin-4-ylpropylamino)-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile;dihydrochloride
CID 53363683
N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine
CID 105424029

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 126473906) is N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine is FC(F)(F)c1cccc(-c2cnn3c(NCCCN4CCOCC4)ccnc23)c1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YWHVKZDEFKGNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O/c21-20(22,23)16-4-1-3-15(13-16)17-14-26-28-18(5-7-25-19(17)28)24-6-2-8-27-9-11-29-12-10-27/h1,3-5,7,13-14,24H,2,6,8-12H2.
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 405.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126473906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).