[(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol

C18H20N4O2 — CID 126473236

IUPAC[(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(-c2cnn3c(N4CCC[C@H]4CO)ccnc23)cc1
InChIInChI=1S/C18H20N4O2/c1-24-15-6-4-13(5-7-15)16-11-20-22-17(8-9-19-18(16)22)21-10-2-3-14(21)12-23/h4-9,11,14,23H,2-3,10,12H2,1H3/t14-/m0/s1
InChIKeyZMSMNTMBRQBUKK-AWEZNQCLSA-N
MW324.38 g/mol
LogP2.37
Rot. Bonds4

About [(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol (PubChem CID 126473236) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is [(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
PubChem CID126473236
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name[(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(-c2cnn3c(N4CCC[C@H]4CO)ccnc23)cc1
InChIInChI=1S/C18H20N4O2/c1-24-15-6-4-13(5-7-15)16-11-20-22-17(8-9-19-18(16)22)21-10-2-3-14(21)12-23/h4-9,11,14,23H,2-3,10,12H2,1H3/t14-/m0/s1
InChIKeyZMSMNTMBRQBUKK-AWEZNQCLSA-N
XLogP2.37
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol (CID 126473236) is [(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol is COc1ccc(-c2cnn3c(N4CCC[C@H]4CO)ccnc23)cc1.
What is the InChIKey of [(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
The InChIKey is ZMSMNTMBRQBUKK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-24-15-6-4-13(5-7-15)16-11-20-22-17(8-9-19-18(16)22)21-10-2-3-14(21)12-23/h4-9,11,14,23H,2-3,10,12H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol has a molecular weight of 324.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 126473236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).