2-[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol

C15H18N4OS — CID 70771397

IUPAC2-[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol
SMILESCCCc1cc(NCC(O)c2cccs2)n2nccc2n1
InChIInChI=1S/C15H18N4OS/c1-2-4-11-9-15(19-14(18-11)6-7-17-19)16-10-12(20)13-5-3-8-21-13/h3,5-9,12,16,20H,2,4,10H2,1H3
InChIKeyXONCCQNXFCLIJI-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.89
Rot. Bonds6

About 2-[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol

2-[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol (PubChem CID 70771397) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol
PubChem CID70771397
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol
SMILESCCCc1cc(NCC(O)c2cccs2)n2nccc2n1
InChIInChI=1S/C15H18N4OS/c1-2-4-11-9-15(19-14(18-11)6-7-17-19)16-10-12(20)13-5-3-8-21-13/h3,5-9,12,16,20H,2,4,10H2,1H3
InChIKeyXONCCQNXFCLIJI-UHFFFAOYSA-N
XLogP2.89
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol (CID 70771397) is 2-[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol is CCCc1cc(NCC(O)c2cccs2)n2nccc2n1.
What is the InChIKey of 2-[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol?
The InChIKey is XONCCQNXFCLIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-2-4-11-9-15(19-14(18-11)6-7-17-19)16-10-12(20)13-5-3-8-21-13/h3,5-9,12,16,20H,2,4,10H2,1H3.
What are the key properties of 2-[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol?
2-[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol has a molecular weight of 302.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 70771397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).