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

C13H15N7 — CID 90104588

IUPAC5-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1c(Nc2nc(C3CC3)nc3cn[nH]c23)cnn1C
InChIInChI=1S/C13H15N7/c1-7-9(6-15-20(7)2)16-13-11-10(5-14-19-11)17-12(18-13)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,14,19)(H,16,17,18)
InChIKeyQJBOLLXRWZHHKM-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.02
Rot. Bonds3

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

5-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 90104588) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID90104588
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name5-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1c(Nc2nc(C3CC3)nc3cn[nH]c23)cnn1C
InChIInChI=1S/C13H15N7/c1-7-9(6-15-20(7)2)16-13-11-10(5-14-19-11)17-12(18-13)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,14,19)(H,16,17,18)
InChIKeyQJBOLLXRWZHHKM-UHFFFAOYSA-N
XLogP2.02
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 90104588) is 5-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is Cc1c(Nc2nc(C3CC3)nc3cn[nH]c23)cnn1C.
What is the InChIKey of 5-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is QJBOLLXRWZHHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-7-9(6-15-20(7)2)16-13-11-10(5-14-19-11)17-12(18-13)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,14,19)(H,16,17,18).
What are the key properties of 5-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 269.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 90104588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).