5-[3-(3-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

C21H21N5O — CID 118708236

IUPAC5-[3-(3-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1cccc(CCCc2nc(N)c3nn(-c4ccccc4)cc3n2)c1
InChIInChI=1S/C21H21N5O/c1-27-17-11-5-7-15(13-17)8-6-12-19-23-18-14-26(16-9-3-2-4-10-16)25-20(18)21(22)24-19/h2-5,7,9-11,13-14H,6,8,12H2,1H3,(H2,22,23,24)
InChIKeyZCPXGQGRCJYMLF-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.58
Rot. Bonds6

About 5-[3-(3-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

5-[3-(3-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 118708236) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-[3-(3-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[3-(3-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID118708236
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-[3-(3-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1cccc(CCCc2nc(N)c3nn(-c4ccccc4)cc3n2)c1
InChIInChI=1S/C21H21N5O/c1-27-17-11-5-7-15(13-17)8-6-12-19-23-18-14-26(16-9-3-2-4-10-16)25-20(18)21(22)24-19/h2-5,7,9-11,13-14H,6,8,12H2,1H3,(H2,22,23,24)
InChIKeyZCPXGQGRCJYMLF-UHFFFAOYSA-N
XLogP3.58
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
Unii-XX8E5WP7FS
CID 118009787
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
N8-[(2S)-3,3-dimethylbutan-2-yl]-N2-[2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386882
N2-(2-Methoxy-4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl)-N8-Neopentylpyrido[3,4-D]pyrimidine-2,8-Diamine
CID 73387064
9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine
CID 5289227
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2,4-Disubstituted Pyrimidine 2g
CID 5329420
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 5-[3-(3-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (CID 118708236) is 5-[3-(3-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 5-[3-(3-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 5-[3-(3-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is COc1cccc(CCCc2nc(N)c3nn(-c4ccccc4)cc3n2)c1.
What is the InChIKey of 5-[3-(3-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is ZCPXGQGRCJYMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-27-17-11-5-7-15(13-17)8-6-12-19-23-18-14-26(16-9-3-2-4-10-16)25-20(18)21(22)24-19/h2-5,7,9-11,13-14H,6,8,12H2,1H3,(H2,22,23,24).
What are the key properties of 5-[3-(3-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
5-[3-(3-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 359.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 118708236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).