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

C21H21N5O — CID 118708237

IUPAC5-[3-(4-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccc(CCCc2nc(N)c3nn(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C21H21N5O/c1-27-17-12-10-15(11-13-17)6-5-9-19-23-18-14-26(16-7-3-2-4-8-16)25-20(18)21(22)24-19/h2-4,7-8,10-14H,5-6,9H2,1H3,(H2,22,23,24)
InChIKeyJVYZZVMFKUDDFA-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.58
Rot. Bonds6

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

5-[3-(4-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 118708237) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-[3-(4-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[3-(4-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID118708237
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-[3-(4-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccc(CCCc2nc(N)c3nn(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C21H21N5O/c1-27-17-12-10-15(11-13-17)6-5-9-19-23-18-14-26(16-7-3-2-4-8-16)25-20(18)21(22)24-19/h2-4,7-8,10-14H,5-6,9H2,1H3,(H2,22,23,24)
InChIKeyJVYZZVMFKUDDFA-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

5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708223
5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708216
5-[2-(4-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]isoquinoline
CID 70345399
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
9-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropylsulfanyl)purin-6-amine
CID 69336132
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-phenylethanamine
CID 4792477
4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 143533585
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 18204409
2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole
CID 11737586
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
2-(4-methoxyphenyl)ethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 7841176

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 5-[3-(4-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (CID 118708237) is 5-[3-(4-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 5-[3-(4-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 5-[3-(4-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is COc1ccc(CCCc2nc(N)c3nn(-c4ccccc4)cc3n2)cc1.
What is the InChIKey of 5-[3-(4-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is JVYZZVMFKUDDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-27-17-12-10-15(11-13-17)6-5-9-19-23-18-14-26(16-7-3-2-4-8-16)25-20(18)21(22)24-19/h2-4,7-8,10-14H,5-6,9H2,1H3,(H2,22,23,24).
What are the key properties of 5-[3-(4-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
5-[3-(4-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-(4-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 118708237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).