[3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone

C20H21N5O3 — CID 18465036

IUPAC[3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cc(-n2cnnn2)ccc1O)N1CCC(CCO)(c2ccccc2)C1
InChIInChI=1S/C20H21N5O3/c26-11-9-20(15-4-2-1-3-5-15)8-10-24(13-20)19(28)17-12-16(6-7-18(17)27)25-14-21-22-23-25/h1-7,12,14,26-27H,8-11,13H2
InChIKeyDCWPFQDKPAFTJW-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.53
Rot. Bonds5

About [3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone

[3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone (PubChem CID 18465036) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone
PubChem CID18465036
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name[3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cc(-n2cnnn2)ccc1O)N1CCC(CCO)(c2ccccc2)C1
InChIInChI=1S/C20H21N5O3/c26-11-9-20(15-4-2-1-3-5-15)8-10-24(13-20)19(28)17-12-16(6-7-18(17)27)25-14-21-22-23-25/h1-7,12,14,26-27H,8-11,13H2
InChIKeyDCWPFQDKPAFTJW-UHFFFAOYSA-N
XLogP1.53
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[2-[3-(2-methylsulfonyloxyethyl)-3-phenylpyrrolidine-1-carbonyl]-4-(tetrazol-1-yl)phenoxy]butanoate
CID 18465048
2-hydroxy-5-(tetrazol-1-yl)benzoic acid
CID 3136529
2-[3-(3,4-dimethoxyphenyl)-1-[2-methoxy-5-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]ethyl methanesulfonate
CID 15392024
[1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-[2-methoxy-5-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]ethyl]-4-phenylpiperidin-4-yl]carbamic acid;hydrochloride
CID 70136048
[3-[2-[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenylpyrrolidin-1-yl]-[2-methoxy-5-(tetrazol-1-yl)phenyl]methanone
CID 18464432
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
CID 120804243
[3-[2-[4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenylpyrrolidin-1-yl]-[2-methoxy-5-(tetrazol-1-yl)phenyl]methanone
CID 18464657
[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone
CID 91797211
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 120809441
[2-methoxy-5-(tetrazol-1-yl)phenyl]-[3-[2-[4-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
CID 18465106
ethyl 2-[4-[[1-[2-[3-(3,4-dichlorophenyl)-1-[2-methoxy-5-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonyl]amino]piperazin-1-yl]acetate
CID 139912457
[(3R)-3-[2-[4-[1-[2-(cyclopropylmethoxy)ethyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenylpyrrolidin-1-yl]-[2-methoxy-5-(tetrazol-1-yl)phenyl]methanone
CID 59902270

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone (CID 18465036) is [3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone is O=C(c1cc(-n2cnnn2)ccc1O)N1CCC(CCO)(c2ccccc2)C1.
What is the InChIKey of [3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is DCWPFQDKPAFTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-11-9-20(15-4-2-1-3-5-15)8-10-24(13-20)19(28)17-12-16(6-7-18(17)27)25-14-21-22-23-25/h1-7,12,14,26-27H,8-11,13H2.
What are the key properties of [3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone?
[3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 379.42 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 18465036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).