5-tert-butyl-N-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C15H19N7 — CID 90103211

IUPAC5-tert-butyl-N-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)(C)c1nc(Nc2cnn(C3CC3)c2)c2[nH]ncc2n1
InChIInChI=1S/C15H19N7/c1-15(2,3)14-19-11-7-16-21-12(11)13(20-14)18-9-6-17-22(8-9)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H,16,21)(H,18,19,20)
InChIKeyFTMXYRZNXYNPEU-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.93
Rot. Bonds3

About 5-tert-butyl-N-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

5-tert-butyl-N-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 90103211) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 5-tert-butyl-N-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID90103211
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name5-tert-butyl-N-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)(C)c1nc(Nc2cnn(C3CC3)c2)c2[nH]ncc2n1
InChIInChI=1S/C15H19N7/c1-15(2,3)14-19-11-7-16-21-12(11)13(20-14)18-9-6-17-22(8-9)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H,16,21)(H,18,19,20)
InChIKeyFTMXYRZNXYNPEU-UHFFFAOYSA-N
XLogP2.93
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-tert-butyl-N-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 90103211) is 5-tert-butyl-N-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-tert-butyl-N-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-tert-butyl-N-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is CC(C)(C)c1nc(Nc2cnn(C3CC3)c2)c2[nH]ncc2n1.
What is the InChIKey of 5-tert-butyl-N-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is FTMXYRZNXYNPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c1-15(2,3)14-19-11-7-16-21-12(11)13(20-14)18-9-6-17-22(8-9)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H,16,21)(H,18,19,20).
What are the key properties of 5-tert-butyl-N-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
5-tert-butyl-N-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 297.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 90103211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).