1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine

C15H16FN5 — CID 110432005

IUPAC1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1ncnc2c1c(C)nn2-c1cccc(F)c1
InChIInChI=1S/C15H16FN5/c1-3-7-17-14-13-10(2)20-21(15(13)19-9-18-14)12-6-4-5-11(16)8-12/h4-6,8-9H,3,7H2,1-2H3,(H,17,18,19)
InChIKeyWSNZCUMIQMCELZ-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.08
Rot. Bonds4

About 1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine

1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110432005) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110432005
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1ncnc2c1c(C)nn2-c1cccc(F)c1
InChIInChI=1S/C15H16FN5/c1-3-7-17-14-13-10(2)20-21(15(13)19-9-18-14)12-6-4-5-11(16)8-12/h4-6,8-9H,3,7H2,1-2H3,(H,17,18,19)
InChIKeyWSNZCUMIQMCELZ-UHFFFAOYSA-N
XLogP3.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432093
1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110432015
2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 110432120
N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63022609
4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80760533
N-[[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 42876329
N-butyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3704584
4-N-[1-(3-fluorophenyl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80783043
4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80818099
5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80751201
1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135734247
1-(3-methoxyphenyl)-3-methyl-N-(1-pyridin-4-ylethylideneamino)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239943

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 110432005) is 1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCNc1ncnc2c1c(C)nn2-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WSNZCUMIQMCELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-3-7-17-14-13-10(2)20-21(15(13)19-9-18-14)12-6-4-5-11(16)8-12/h4-6,8-9H,3,7H2,1-2H3,(H,17,18,19).
What are the key properties of 1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 285.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110432005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).