3-[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol

C19H23N5O2 — CID 118975221

IUPAC3-[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESOC[C@@H]1CCCN1CCNc1ccn2ncc(-c3cccc(O)c3)c2n1
InChIInChI=1S/C19H23N5O2/c25-13-15-4-2-8-23(15)10-7-20-18-6-9-24-19(22-18)17(12-21-24)14-3-1-5-16(26)11-14/h1,3,5-6,9,11-12,15,25-26H,2,4,7-8,10,13H2,(H,20,22)/t15-/m0/s1
InChIKeyNWASDWMFHUNZBZ-HNNXBMFYSA-N
MW353.43 g/mol
LogP1.97
Rot. Bonds6

About 3-[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol

3-[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol (PubChem CID 118975221) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol.

Molecular Properties

Compound Name3-[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
PubChem CID118975221
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESOC[C@@H]1CCCN1CCNc1ccn2ncc(-c3cccc(O)c3)c2n1
InChIInChI=1S/C19H23N5O2/c25-13-15-4-2-8-23(15)10-7-20-18-6-9-24-19(22-18)17(12-21-24)14-3-1-5-16(26)11-14/h1,3,5-6,9,11-12,15,25-26H,2,4,7-8,10,13H2,(H,20,22)/t15-/m0/s1
InChIKeyNWASDWMFHUNZBZ-HNNXBMFYSA-N
XLogP1.97
TPSA85.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The IUPAC name of 3-[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol (CID 118975221) is 3-[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol.
What is the SMILES notation for 3-[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The canonical SMILES for 3-[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol is OC[C@@H]1CCCN1CCNc1ccn2ncc(-c3cccc(O)c3)c2n1.
What is the InChIKey of 3-[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The InChIKey is NWASDWMFHUNZBZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-13-15-4-2-8-23(15)10-7-20-18-6-9-24-19(22-18)17(12-21-24)14-3-1-5-16(26)11-14/h1,3,5-6,9,11-12,15,25-26H,2,4,7-8,10,13H2,(H,20,22)/t15-/m0/s1.
What are the key properties of 3-[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
3-[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol has a molecular weight of 353.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol is sourced from PubChem (CID 118975221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).