N-(1-tert-butylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C13H17N7 — CID 47464170

IUPACN-(1-tert-butylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(Nc3cnn(C(C)(C)C)c3)ncnc21
InChIInChI=1S/C13H17N7/c1-13(2,3)20-7-9(5-17-20)18-11-10-6-16-19(4)12(10)15-8-14-11/h5-8H,1-4H3,(H,14,15,18)
InChIKeyUXSTVZCWWVLKGL-UHFFFAOYSA-N
MW271.33 g/mol
LogP2.06
Rot. Bonds2

About N-(1-tert-butylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-(1-tert-butylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 47464170) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID47464170
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(Nc3cnn(C(C)(C)C)c3)ncnc21
InChIInChI=1S/C13H17N7/c1-13(2,3)20-7-9(5-17-20)18-11-10-6-16-19(4)12(10)15-8-14-11/h5-8H,1-4H3,(H,14,15,18)
InChIKeyUXSTVZCWWVLKGL-UHFFFAOYSA-N
XLogP2.06
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 47464170) is N-(1-tert-butylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(Nc3cnn(C(C)(C)C)c3)ncnc21.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UXSTVZCWWVLKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-13(2,3)20-7-9(5-17-20)18-11-10-6-16-19(4)12(10)15-8-14-11/h5-8H,1-4H3,(H,14,15,18).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(1-tert-butylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 271.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 47464170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).