3-(furan-3-yl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine

C13H14N4O — CID 126472360

IUPAC3-(furan-3-yl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCNc1ccnc2c(-c3ccoc3)cnn12
InChIInChI=1S/C13H14N4O/c1-2-5-14-12-3-6-15-13-11(8-16-17(12)13)10-4-7-18-9-10/h3-4,6-9,14H,2,5H2,1H3
InChIKeyPTZZTSMBBOCSRO-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.81
Rot. Bonds4

About 3-(furan-3-yl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine

3-(furan-3-yl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126472360) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(furan-3-yl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(furan-3-yl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID126472360
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name3-(furan-3-yl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCNc1ccnc2c(-c3ccoc3)cnn12
InChIInChI=1S/C13H14N4O/c1-2-5-14-12-3-6-15-13-11(8-16-17(12)13)10-4-7-18-9-10/h3-4,6-9,14H,2,5H2,1H3
InChIKeyPTZZTSMBBOCSRO-UHFFFAOYSA-N
XLogP2.81
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(furan-3-yl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine (CID 126472360) is 3-(furan-3-yl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(furan-3-yl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(furan-3-yl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine is CCCNc1ccnc2c(-c3ccoc3)cnn12.
What is the InChIKey of 3-(furan-3-yl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PTZZTSMBBOCSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-2-5-14-12-3-6-15-13-11(8-16-17(12)13)10-4-7-18-9-10/h3-4,6-9,14H,2,5H2,1H3.
What are the key properties of 3-(furan-3-yl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(furan-3-yl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 242.28 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126472360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).