cis-(1R,2S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentan-1-ol

C13H18N4O — CID 56917169

IUPACcis-(1R,2S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentan-1-ol
SMILESCCc1cc(N[C@H]2CCC[C@H]2O)n2nccc2n1
InChIInChI=1S/C13H18N4O/c1-2-9-8-13(16-10-4-3-5-11(10)18)17-12(15-9)6-7-14-17/h6-8,10-11,16,18H,2-5H2,1H3/t10-,11+/m0/s1
InChIKeyOHQJKAQWCDSMOS-WDEREUQCSA-N
MW246.31 g/mol
LogP1.62
Rot. Bonds3

About cis-(1R,2S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentan-1-ol

cis-(1R,2S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentan-1-ol (PubChem CID 56917169) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentan-1-ol
PubChem CID56917169
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Namecis-(1R,2S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentan-1-ol
SMILESCCc1cc(N[C@H]2CCC[C@H]2O)n2nccc2n1
InChIInChI=1S/C13H18N4O/c1-2-9-8-13(16-10-4-3-5-11(10)18)17-12(15-9)6-7-14-17/h6-8,10-11,16,18H,2-5H2,1H3/t10-,11+/m0/s1
InChIKeyOHQJKAQWCDSMOS-WDEREUQCSA-N
XLogP1.62
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentan-1-ol (CID 56917169) is cis-(1R,2S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentan-1-ol is CCc1cc(N[C@H]2CCC[C@H]2O)n2nccc2n1.
What is the InChIKey of cis-(1R,2S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentan-1-ol?
The InChIKey is OHQJKAQWCDSMOS-WDEREUQCSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-9-8-13(16-10-4-3-5-11(10)18)17-12(15-9)6-7-14-17/h6-8,10-11,16,18H,2-5H2,1H3/t10-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentan-1-ol?
cis-(1R,2S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 56917169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).