1-[(4-chlorophenyl)methyl]-N,N-diethylpyrazolo[5,4-d]pyrimidin-4-amine

C16H18ClN5 — CID 895460

IUPAC1-[(4-chlorophenyl)methyl]-N,N-diethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(CC)c1ncnc2c1cnn2Cc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN5/c1-3-21(4-2)15-14-9-20-22(16(14)19-11-18-15)10-12-5-7-13(17)8-6-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyACOAELCHSHUBFK-UHFFFAOYSA-N
MW315.81 g/mol
LogP3.37
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N,N-diethylpyrazolo[5,4-d]pyrimidin-4-amine

1-[(4-chlorophenyl)methyl]-N,N-diethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 895460) has the molecular formula C16H18ClN5 and a molecular weight of 315.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N,N-diethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N,N-diethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID895460
Molecular FormulaC16H18ClN5
Molecular Weight315.81 g/mol
Exact Mass315.13
IUPAC Name1-[(4-chlorophenyl)methyl]-N,N-diethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(CC)c1ncnc2c1cnn2Cc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN5/c1-3-21(4-2)15-14-9-20-22(16(14)19-11-18-15)10-12-5-7-13(17)8-6-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyACOAELCHSHUBFK-UHFFFAOYSA-N
XLogP3.37
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N,N-diethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N,N-diethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 895460) is 1-[(4-chlorophenyl)methyl]-N,N-diethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N,N-diethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N,N-diethylpyrazolo[5,4-d]pyrimidin-4-amine is CCN(CC)c1ncnc2c1cnn2Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N,N-diethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ACOAELCHSHUBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5/c1-3-21(4-2)15-14-9-20-22(16(14)19-11-18-15)10-12-5-7-13(17)8-6-12/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N,N-diethylpyrazolo[5,4-d]pyrimidin-4-amine?
1-[(4-chlorophenyl)methyl]-N,N-diethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 315.81 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N,N-diethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 895460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).