1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine

C12H15N7 — CID 39892988

IUPAC1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C)c2c(NCCn3cccn3)ncnc12
InChIInChI=1S/C12H15N7/c1-9-10-11(18(2)17-9)12(15-8-14-10)13-5-7-19-6-3-4-16-19/h3-4,6,8H,5,7H2,1-2H3,(H,13,14,15)
InChIKeyIYYGEGVGGBEBQB-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.98
Rot. Bonds4

About 1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine

1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 39892988) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID39892988
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C)c2c(NCCn3cccn3)ncnc12
InChIInChI=1S/C12H15N7/c1-9-10-11(18(2)17-9)12(15-8-14-10)13-5-7-19-6-3-4-16-19/h3-4,6,8H,5,7H2,1-2H3,(H,13,14,15)
InChIKeyIYYGEGVGGBEBQB-UHFFFAOYSA-N
XLogP0.98
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 39892988) is 1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine is Cc1nn(C)c2c(NCCn3cccn3)ncnc12.
What is the InChIKey of 1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is IYYGEGVGGBEBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-9-10-11(18(2)17-9)12(15-8-14-10)13-5-7-19-6-3-4-16-19/h3-4,6,8H,5,7H2,1-2H3,(H,13,14,15).
What are the key properties of 1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 257.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 39892988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).