2-[(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol

C14H16N4OS — CID 126475005

IUPAC2-[(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccnc2c(-c3ccsc3)cnn12
InChIInChI=1S/C14H16N4OS/c1-2-11(8-19)17-13-3-5-15-14-12(7-16-18(13)14)10-4-6-20-9-10/h3-7,9,11,17,19H,2,8H2,1H3
InChIKeyJVADQTCWRILRAB-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.64
Rot. Bonds5

About 2-[(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol

2-[(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol (PubChem CID 126475005) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-[(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
PubChem CID126475005
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name2-[(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccnc2c(-c3ccsc3)cnn12
InChIInChI=1S/C14H16N4OS/c1-2-11(8-19)17-13-3-5-15-14-12(7-16-18(13)14)10-4-6-20-9-10/h3-7,9,11,17,19H,2,8H2,1H3
InChIKeyJVADQTCWRILRAB-UHFFFAOYSA-N
XLogP2.64
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol?
The IUPAC name of 2-[(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol (CID 126475005) is 2-[(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol is CCC(CO)Nc1ccnc2c(-c3ccsc3)cnn12.
What is the InChIKey of 2-[(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol?
The InChIKey is JVADQTCWRILRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-2-11(8-19)17-13-3-5-15-14-12(7-16-18(13)14)10-4-6-20-9-10/h3-7,9,11,17,19H,2,8H2,1H3.
What are the key properties of 2-[(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol?
2-[(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol has a molecular weight of 288.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol is sourced from PubChem (CID 126475005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).