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

C14H19N7 — CID 39893615

IUPAC5-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nc(NCCn2cccn2)c2c(n1)c(C)nn2C
InChIInChI=1S/C14H19N7/c1-4-11-17-12-10(2)19-20(3)13(12)14(18-11)15-7-9-21-8-5-6-16-21/h5-6,8H,4,7,9H2,1-3H3,(H,15,17,18)
InChIKeyQIMHXNWOMOSIAX-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.54
Rot. Bonds5

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

5-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 39893615) has the molecular formula C14H19N7 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID39893615
Molecular FormulaC14H19N7
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name5-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nc(NCCn2cccn2)c2c(n1)c(C)nn2C
InChIInChI=1S/C14H19N7/c1-4-11-17-12-10(2)19-20(3)13(12)14(18-11)15-7-9-21-8-5-6-16-21/h5-6,8H,4,7,9H2,1-3H3,(H,15,17,18)
InChIKeyQIMHXNWOMOSIAX-UHFFFAOYSA-N
XLogP1.54
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 39893615) is 5-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine is CCc1nc(NCCn2cccn2)c2c(n1)c(C)nn2C.
What is the InChIKey of 5-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is QIMHXNWOMOSIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-4-11-17-12-10(2)19-20(3)13(12)14(18-11)15-7-9-21-8-5-6-16-21/h5-6,8H,4,7,9H2,1-3H3,(H,15,17,18).
What are the key properties of 5-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
5-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 285.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 39893615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).