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

C18H17N5O — CID 126475579

IUPAC4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnn3c(N4CCC[C@H]4CO)ccnc23)cc1
InChIInChI=1S/C18H17N5O/c19-10-13-3-5-14(6-4-13)16-11-21-23-17(7-8-20-18(16)23)22-9-1-2-15(22)12-24/h3-8,11,15,24H,1-2,9,12H2/t15-/m0/s1
InChIKeyPSBZMQNNMUEDAG-HNNXBMFYSA-N
MW319.37 g/mol
LogP2.23
Rot. Bonds3

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

4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile (PubChem CID 126475579) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile
PubChem CID126475579
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnn3c(N4CCC[C@H]4CO)ccnc23)cc1
InChIInChI=1S/C18H17N5O/c19-10-13-3-5-14(6-4-13)16-11-21-23-17(7-8-20-18(16)23)22-9-1-2-15(22)12-24/h3-8,11,15,24H,1-2,9,12H2/t15-/m0/s1
InChIKeyPSBZMQNNMUEDAG-HNNXBMFYSA-N
XLogP2.23
TPSA77.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile with MolForge

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Related Compounds

[(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
CID 126473236
3-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid
CID 126474263
[(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
CID 126469583
[(2S)-1-[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
CID 126474399
[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
CID 66995898
3-chloro-4-[2-(hydroxymethyl)pyrrolidin-1-yl]benzonitrile
CID 63092296
2-[2-(hydroxymethyl)azepan-1-yl]-4-methylpyridine-3-carbonitrile
CID 116634711
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
4-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 78942373
3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 82817295
4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile
CID 79028617
4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile
CID 66260511

Frequently Asked Questions

What is the IUPAC name of 4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile?
The IUPAC name of 4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile (CID 126475579) is 4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile.
What is the SMILES notation for 4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile?
The canonical SMILES for 4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile is N#Cc1ccc(-c2cnn3c(N4CCC[C@H]4CO)ccnc23)cc1.
What is the InChIKey of 4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile?
The InChIKey is PSBZMQNNMUEDAG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17N5O/c19-10-13-3-5-14(6-4-13)16-11-21-23-17(7-8-20-18(16)23)22-9-1-2-15(22)12-24/h3-8,11,15,24H,1-2,9,12H2/t15-/m0/s1.
What are the key properties of 4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile?
4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile has a molecular weight of 319.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile is sourced from PubChem (CID 126475579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).