N,5-bis(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C11H9N9 — CID 66574465

IUPACN,5-bis(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESc1cc(Nc2nc(-c3ccn[nH]3)nc3cn[nH]c23)[nH]n1
InChIInChI=1S/C11H9N9/c1-3-12-18-6(1)10-15-7-5-14-20-9(7)11(17-10)16-8-2-4-13-19-8/h1-5H,(H,12,18)(H,14,20)(H2,13,15,16,17,19)
InChIKeyAGJRCBYEQRYLRR-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.21
Rot. Bonds3

About N,5-bis(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

N,5-bis(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 66574465) has the molecular formula C11H9N9 and a molecular weight of 267.26 g/mol. Its IUPAC name is N,5-bis(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN,5-bis(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID66574465
Molecular FormulaC11H9N9
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC NameN,5-bis(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESc1cc(Nc2nc(-c3ccn[nH]3)nc3cn[nH]c23)[nH]n1
InChIInChI=1S/C11H9N9/c1-3-12-18-6(1)10-15-7-5-14-20-9(7)11(17-10)16-8-2-4-13-19-8/h1-5H,(H,12,18)(H,14,20)(H2,13,15,16,17,19)
InChIKeyAGJRCBYEQRYLRR-UHFFFAOYSA-N
XLogP1.21
TPSA123.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5-bis(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N,5-bis(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 66574465) is N,5-bis(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N,5-bis(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N,5-bis(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is c1cc(Nc2nc(-c3ccn[nH]3)nc3cn[nH]c23)[nH]n1.
What is the InChIKey of N,5-bis(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is AGJRCBYEQRYLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N9/c1-3-12-18-6(1)10-15-7-5-14-20-9(7)11(17-10)16-8-2-4-13-19-8/h1-5H,(H,12,18)(H,14,20)(H2,13,15,16,17,19).
What are the key properties of N,5-bis(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
N,5-bis(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 267.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 66574465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).