[(1R,2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methanol

C16H24N4O — CID 56913210

IUPAC[(1R,2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methanol
SMILESCCc1cc(N[C@H]2CCC[C@H]2CO)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H24N4O/c1-4-13-8-15(18-14-7-5-6-12(14)9-21)20-16(17-13)10(2)11(3)19-20/h8,12,14,18,21H,4-7,9H2,1-3H3/t12-,14-/m0/s1
InChIKeyBKIHZVFZVJWAAU-JSGCOSHPSA-N
MW288.39 g/mol
LogP2.48
Rot. Bonds4

About [(1R,2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methanol

[(1R,2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methanol (PubChem CID 56913210) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [(1R,2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methanol
PubChem CID56913210
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[(1R,2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methanol
SMILESCCc1cc(N[C@H]2CCC[C@H]2CO)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H24N4O/c1-4-13-8-15(18-14-7-5-6-12(14)9-21)20-16(17-13)10(2)11(3)19-20/h8,12,14,18,21H,4-7,9H2,1-3H3/t12-,14-/m0/s1
InChIKeyBKIHZVFZVJWAAU-JSGCOSHPSA-N
XLogP2.48
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methanol?
The IUPAC name of [(1R,2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methanol (CID 56913210) is [(1R,2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [(1R,2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [(1R,2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methanol is CCc1cc(N[C@H]2CCC[C@H]2CO)n2nc(C)c(C)c2n1.
What is the InChIKey of [(1R,2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methanol?
The InChIKey is BKIHZVFZVJWAAU-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-13-8-15(18-14-7-5-6-12(14)9-21)20-16(17-13)10(2)11(3)19-20/h8,12,14,18,21H,4-7,9H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of [(1R,2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methanol?
[(1R,2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methanol has a molecular weight of 288.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 56913210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).