N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine

C16H23N7 — CID 56900481

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cc(C)n(CCCN(C)c2nc(C)nc3c2cnn3C)n1
InChIInChI=1S/C16H23N7/c1-11-9-12(2)23(20-11)8-6-7-21(4)15-14-10-17-22(5)16(14)19-13(3)18-15/h9-10H,6-8H2,1-5H3
InChIKeyHTWMWAXGPOEUSI-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.01
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56900481) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56900481
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cc(C)n(CCCN(C)c2nc(C)nc3c2cnn3C)n1
InChIInChI=1S/C16H23N7/c1-11-9-12(2)23(20-11)8-6-7-21(4)15-14-10-17-22(5)16(14)19-13(3)18-15/h9-10H,6-8H2,1-5H3
InChIKeyHTWMWAXGPOEUSI-UHFFFAOYSA-N
XLogP2.01
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 56900481) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine is Cc1cc(C)n(CCCN(C)c2nc(C)nc3c2cnn3C)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is HTWMWAXGPOEUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-11-9-12(2)23(20-11)8-6-7-21(4)15-14-10-17-22(5)16(14)19-13(3)18-15/h9-10H,6-8H2,1-5H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 313.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56900481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).