3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol

C16H18N4O2 — CID 95869952

IUPAC3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol
SMILESCCc1cc(NC[C@@H](O)c2cccc(O)c2)n2nccc2n1
InChIInChI=1S/C16H18N4O2/c1-2-12-9-16(20-15(19-12)6-7-18-20)17-10-14(22)11-4-3-5-13(21)8-11/h3-9,14,17,21-22H,2,10H2,1H3/t14-/m1/s1
InChIKeyHLSDBPXCWBRFMZ-CQSZACIVSA-N
MW298.35 g/mol
LogP2.14
Rot. Bonds5

About 3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol

3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol (PubChem CID 95869952) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol
PubChem CID95869952
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol
SMILESCCc1cc(NC[C@@H](O)c2cccc(O)c2)n2nccc2n1
InChIInChI=1S/C16H18N4O2/c1-2-12-9-16(20-15(19-12)6-7-18-20)17-10-14(22)11-4-3-5-13(21)8-11/h3-9,14,17,21-22H,2,10H2,1H3/t14-/m1/s1
InChIKeyHLSDBPXCWBRFMZ-CQSZACIVSA-N
XLogP2.14
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol with MolForge

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Related Compounds

2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(furan-2-yl)ethanol
CID 70720346
5-ethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890779
3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol
CID 95869229
3-[[3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol
CID 56893377
3-[(1S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol
CID 7435960
3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol
CID 97192755
5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56914218
5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70783218
4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol
CID 95868851
1-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 56884548
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
(1S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol
CID 95891447

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol?
The IUPAC name of 3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol (CID 95869952) is 3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol.
What is the SMILES notation for 3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol?
The canonical SMILES for 3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol is CCc1cc(NC[C@@H](O)c2cccc(O)c2)n2nccc2n1.
What is the InChIKey of 3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol?
The InChIKey is HLSDBPXCWBRFMZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-2-12-9-16(20-15(19-12)6-7-18-20)17-10-14(22)11-4-3-5-13(21)8-11/h3-9,14,17,21-22H,2,10H2,1H3/t14-/m1/s1.
What are the key properties of 3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol?
3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol has a molecular weight of 298.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol is sourced from PubChem (CID 95869952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).