3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C21H20FN5 — CID 126473551

IUPAC3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)c1ccccc1-c1cnn2c(NCc3ccc(F)cc3)ccnc12
InChIInChI=1S/C21H20FN5/c1-26(2)19-6-4-3-5-17(19)18-14-25-27-20(11-12-23-21(18)27)24-13-15-7-9-16(22)10-8-15/h3-12,14,24H,13H2,1-2H3
InChIKeyFXKWNPKAOSCFEE-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.21
Rot. Bonds5

About 3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126473551) has the molecular formula C21H20FN5 and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID126473551
Molecular FormulaC21H20FN5
Molecular Weight361.42 g/mol
Exact Mass361.17
IUPAC Name3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)c1ccccc1-c1cnn2c(NCc3ccc(F)cc3)ccnc12
InChIInChI=1S/C21H20FN5/c1-26(2)19-6-4-3-5-17(19)18-14-25-27-20(11-12-23-21(18)27)24-13-15-7-9-16(22)10-8-15/h3-12,14,24H,13H2,1-2H3
InChIKeyFXKWNPKAOSCFEE-UHFFFAOYSA-N
XLogP4.21
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126474583
3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751413
N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126472232
N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 126473476
3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473838
3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126474913
(2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol
CID 45489074
N-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46852268
5-[2-(dimethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126475211
N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 68752804
N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 126472157
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4179582

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 126473551) is 3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is CN(C)c1ccccc1-c1cnn2c(NCc3ccc(F)cc3)ccnc12.
What is the InChIKey of 3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FXKWNPKAOSCFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5/c1-26(2)19-6-4-3-5-17(19)18-14-25-27-20(11-12-23-21(18)27)24-13-15-7-9-16(22)10-8-15/h3-12,14,24H,13H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 361.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126473551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).