(3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol

C16H21N3O2 — CID 100736446

IUPAC(3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
SMILESCOc1cccc([C@@H]2C[C@@H](O)CN2CCn2cccn2)c1
InChIInChI=1S/C16H21N3O2/c1-21-15-5-2-4-13(10-15)16-11-14(20)12-18(16)8-9-19-7-3-6-17-19/h2-7,10,14,16,20H,8-9,11-12H2,1H3/t14-,16+/m1/s1
InChIKeyUTQJVISSKLDAJG-ZBFHGGJFSA-N
MW287.36 g/mol
LogP1.70
Rot. Bonds5

About (3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol

(3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol (PubChem CID 100736446) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
PubChem CID100736446
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
SMILESCOc1cccc([C@@H]2C[C@@H](O)CN2CCn2cccn2)c1
InChIInChI=1S/C16H21N3O2/c1-21-15-5-2-4-13(10-15)16-11-14(20)12-18(16)8-9-19-7-3-6-17-19/h2-7,10,14,16,20H,8-9,11-12H2,1H3/t14-,16+/m1/s1
InChIKeyUTQJVISSKLDAJG-ZBFHGGJFSA-N
XLogP1.70
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5S)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100751648
(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481356
(3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol
CID 100736568
5-(3-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol
CID 128964288
(3R,5R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481272
N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 129480913
1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 167793030
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 100736947
(3R,5S)-1-[[4-(hydroxymethyl)phenyl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100737617
(3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481177
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-ol
CID 129481109
(3S,5R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129480840

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol (CID 100736446) is (3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol is COc1cccc([C@@H]2C[C@@H](O)CN2CCn2cccn2)c1.
What is the InChIKey of (3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol?
The InChIKey is UTQJVISSKLDAJG-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-15-5-2-4-13(10-15)16-11-14(20)12-18(16)8-9-19-7-3-6-17-19/h2-7,10,14,16,20H,8-9,11-12H2,1H3/t14-,16+/m1/s1.
What are the key properties of (3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol?
(3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol has a molecular weight of 287.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol is sourced from PubChem (CID 100736446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).