4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol

C18H22N4O2 — CID 95868851

IUPAC4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol
SMILESCCc1cc(NC[C@H](O)c2ccc(O)cc2)n2nc(C)c(C)c2n1
InChIInChI=1S/C18H22N4O2/c1-4-14-9-17(22-18(20-14)11(2)12(3)21-22)19-10-16(24)13-5-7-15(23)8-6-13/h5-9,16,19,23-24H,4,10H2,1-3H3/t16-/m0/s1
InChIKeyFNCPQOCAKFBAKU-INIZCTEOSA-N
MW326.40 g/mol
LogP2.76
Rot. Bonds5

About 4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol

4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol (PubChem CID 95868851) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol
PubChem CID95868851
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol
SMILESCCc1cc(NC[C@H](O)c2ccc(O)cc2)n2nc(C)c(C)c2n1
InChIInChI=1S/C18H22N4O2/c1-4-14-9-17(22-18(20-14)11(2)12(3)21-22)19-10-16(24)13-5-7-15(23)8-6-13/h5-9,16,19,23-24H,4,10H2,1-3H3/t16-/m0/s1
InChIKeyFNCPQOCAKFBAKU-INIZCTEOSA-N
XLogP2.76
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol?
The IUPAC name of 4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol (CID 95868851) is 4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol.
What is the SMILES notation for 4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol?
The canonical SMILES for 4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol is CCc1cc(NC[C@H](O)c2ccc(O)cc2)n2nc(C)c(C)c2n1.
What is the InChIKey of 4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol?
The InChIKey is FNCPQOCAKFBAKU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-14-9-17(22-18(20-14)11(2)12(3)21-22)19-10-16(24)13-5-7-15(23)8-6-13/h5-9,16,19,23-24H,4,10H2,1-3H3/t16-/m0/s1.
What are the key properties of 4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol?
4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol has a molecular weight of 326.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol is sourced from PubChem (CID 95868851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).