3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine

C17H21N5 — CID 126474583

IUPAC3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCNc1ccnc2c(-c3ccccc3N(C)C)cnn12
InChIInChI=1S/C17H21N5/c1-4-10-18-16-9-11-19-17-14(12-20-22(16)17)13-7-5-6-8-15(13)21(2)3/h5-9,11-12,18H,4,10H2,1-3H3
InChIKeyVYWCKGALTRBBAX-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.28
Rot. Bonds5

About 3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine

3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126474583) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID126474583
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCNc1ccnc2c(-c3ccccc3N(C)C)cnn12
InChIInChI=1S/C17H21N5/c1-4-10-18-16-9-11-19-17-14(12-20-22(16)17)13-7-5-6-8-15(13)21(2)3/h5-9,11-12,18H,4,10H2,1-3H3
InChIKeyVYWCKGALTRBBAX-UHFFFAOYSA-N
XLogP3.28
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473551
N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 126473476
3-(4-aminophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126473680
N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 126472157
(2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol
CID 45489074
N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126472969
3-naphthalen-2-yl-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126475589
3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751853
3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126474913
5-[2-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285815
2-phenyl-N-propylpyrazol-3-amine
CID 54170155
5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3746157

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine (CID 126474583) is 3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine is CCCNc1ccnc2c(-c3ccccc3N(C)C)cnn12.
What is the InChIKey of 3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VYWCKGALTRBBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-4-10-18-16-9-11-19-17-14(12-20-22(16)17)13-7-5-6-8-15(13)21(2)3/h5-9,11-12,18H,4,10H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 295.39 g/mol, XLogP of 3.28, 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-propylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126474583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).