N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C16H23N7 — CID 70705673

IUPACN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1c(C)nn(CCNc2ncnc3c2c(C)nn3C)c1C
InChIInChI=1S/C16H23N7/c1-6-13-10(2)21-23(12(13)4)8-7-17-15-14-11(3)20-22(5)16(14)19-9-18-15/h9H,6-8H2,1-5H3,(H,17,18,19)
InChIKeyZTXNGYVKFBWNBZ-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.16
Rot. Bonds5

About N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70705673) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70705673
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1c(C)nn(CCNc2ncnc3c2c(C)nn3C)c1C
InChIInChI=1S/C16H23N7/c1-6-13-10(2)21-23(12(13)4)8-7-17-15-14-11(3)20-22(5)16(14)19-9-18-15/h9H,6-8H2,1-5H3,(H,17,18,19)
InChIKeyZTXNGYVKFBWNBZ-UHFFFAOYSA-N
XLogP2.16
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 70705673) is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1c(C)nn(CCNc2ncnc3c2c(C)nn3C)c1C.
What is the InChIKey of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZTXNGYVKFBWNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-6-13-10(2)21-23(12(13)4)8-7-17-15-14-11(3)20-22(5)16(14)19-9-18-15/h9H,6-8H2,1-5H3,(H,17,18,19).
What are the key properties of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 313.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70705673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).