N-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

C8H7N7 — CID 141431605

IUPACN-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESc1n[nH]cc1Nc1ncc2cn[nH]c2n1
InChIInChI=1S/C8H7N7/c1-5-2-12-15-7(5)14-8(9-1)13-6-3-10-11-4-6/h1-4H,(H,10,11)(H2,9,12,13,14,15)
InChIKeyXPTBJJKKPXVCJG-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.82
Rot. Bonds2

About N-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

N-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 141431605) has the molecular formula C8H7N7 and a molecular weight of 201.19 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID141431605
Molecular FormulaC8H7N7
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC NameN-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESc1n[nH]cc1Nc1ncc2cn[nH]c2n1
InChIInChI=1S/C8H7N7/c1-5-2-12-15-7(5)14-8(9-1)13-6-3-10-11-4-6/h1-4H,(H,10,11)(H2,9,12,13,14,15)
InChIKeyXPTBJJKKPXVCJG-UHFFFAOYSA-N
XLogP0.82
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of N-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 141431605) is N-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for N-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is c1n[nH]cc1Nc1ncc2cn[nH]c2n1.
What is the InChIKey of N-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is XPTBJJKKPXVCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N7/c1-5-2-12-15-7(5)14-8(9-1)13-6-3-10-11-4-6/h1-4H,(H,10,11)(H2,9,12,13,14,15).
What are the key properties of N-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
N-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 201.19 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 141431605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).