[(2S)-1-[[3-(1H-indazol-3-yl)phenyl]methyl]pyrrolidin-2-yl]methanol

C19H21N3O — CID 53360103

IUPAC[(2S)-1-[[3-(1H-indazol-3-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1Cc1cccc(-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C19H21N3O/c23-13-16-7-4-10-22(16)12-14-5-3-6-15(11-14)19-17-8-1-2-9-18(17)20-21-19/h1-3,5-6,8-9,11,16,23H,4,7,10,12-13H2,(H,20,21)/t16-/m0/s1
InChIKeyITSUFKIMWJRGTP-INIZCTEOSA-N
MW307.40 g/mol
LogP3.19
Rot. Bonds4

About [(2S)-1-[[3-(1H-indazol-3-yl)phenyl]methyl]pyrrolidin-2-yl]methanol

[(2S)-1-[[3-(1H-indazol-3-yl)phenyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 53360103) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is [(2S)-1-[[3-(1H-indazol-3-yl)phenyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[3-(1H-indazol-3-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID53360103
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name[(2S)-1-[[3-(1H-indazol-3-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1Cc1cccc(-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C19H21N3O/c23-13-16-7-4-10-22(16)12-14-5-3-6-15(11-14)19-17-8-1-2-9-18(17)20-21-19/h1-3,5-6,8-9,11,16,23H,4,7,10,12-13H2,(H,20,21)/t16-/m0/s1
InChIKeyITSUFKIMWJRGTP-INIZCTEOSA-N
XLogP3.19
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[[3-[1-(benzenesulfonyl)indol-3-yl]phenyl]methyl]pyrrolidin-2-yl]methanol
CID 53360100
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CID 30979696
[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407137
[(2R)-1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 70142040
[(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 53360235
[(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol
CID 91315715
1-[2-[3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59540836
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 112734019
methyl 3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzoate
CID 62734235
[(2S)-1-[[3-(1-benzofuran-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid
CID 53360232
[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79241362

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[3-(1H-indazol-3-yl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[3-(1H-indazol-3-yl)phenyl]methyl]pyrrolidin-2-yl]methanol (CID 53360103) is [(2S)-1-[[3-(1H-indazol-3-yl)phenyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[3-(1H-indazol-3-yl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[3-(1H-indazol-3-yl)phenyl]methyl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1Cc1cccc(-c2n[nH]c3ccccc23)c1.
What is the InChIKey of [(2S)-1-[[3-(1H-indazol-3-yl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is ITSUFKIMWJRGTP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N3O/c23-13-16-7-4-10-22(16)12-14-5-3-6-15(11-14)19-17-8-1-2-9-18(17)20-21-19/h1-3,5-6,8-9,11,16,23H,4,7,10,12-13H2,(H,20,21)/t16-/m0/s1.
What are the key properties of [(2S)-1-[[3-(1H-indazol-3-yl)phenyl]methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[[3-(1H-indazol-3-yl)phenyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 307.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[3-(1H-indazol-3-yl)phenyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 53360103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).