4-[(1R)-1-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol

C16H18N4O — CID 95867959

IUPAC4-[(1R)-1-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol
SMILESCc1cc(N[C@H](C)c2ccc(O)cc2)n2nc(C)cc2n1
InChIInChI=1S/C16H18N4O/c1-10-8-16(20-15(17-10)9-11(2)19-20)18-12(3)13-4-6-14(21)7-5-13/h4-9,12,18,21H,1-3H3/t12-/m1/s1
InChIKeyXGUOMCANTOJPGM-GFCCVEGCSA-N
MW282.35 g/mol
LogP3.22
Rot. Bonds3

About 4-[(1R)-1-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol

4-[(1R)-1-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol (PubChem CID 95867959) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[(1R)-1-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[(1R)-1-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol
PubChem CID95867959
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-[(1R)-1-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol
SMILESCc1cc(N[C@H](C)c2ccc(O)cc2)n2nc(C)cc2n1
InChIInChI=1S/C16H18N4O/c1-10-8-16(20-15(17-10)9-11(2)19-20)18-12(3)13-4-6-14(21)7-5-13/h4-9,12,18,21H,1-3H3/t12-/m1/s1
InChIKeyXGUOMCANTOJPGM-GFCCVEGCSA-N
XLogP3.22
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol?
The IUPAC name of 4-[(1R)-1-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol (CID 95867959) is 4-[(1R)-1-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[(1R)-1-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[(1R)-1-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol is Cc1cc(N[C@H](C)c2ccc(O)cc2)n2nc(C)cc2n1.
What is the InChIKey of 4-[(1R)-1-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol?
The InChIKey is XGUOMCANTOJPGM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-8-16(20-15(17-10)9-11(2)19-20)18-12(3)13-4-6-14(21)7-5-13/h4-9,12,18,21H,1-3H3/t12-/m1/s1.
What are the key properties of 4-[(1R)-1-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol?
4-[(1R)-1-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol has a molecular weight of 282.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol is sourced from PubChem (CID 95867959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).