(3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol

C19H20N4O — CID 129484764

IUPAC(3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
SMILESO[C@]1(c2cn[nH]n2)CCN(Cc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C19H20N4O/c24-19(18-12-20-22-21-18)10-11-23(14-19)13-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,12,24H,10-11,13-14H2,(H,20,21,22)/t19-/m1/s1
InChIKeyDRGRRWBCEPWWER-LJQANCHMSA-N
MW320.40 g/mol
LogP2.57
Rot. Bonds4

About (3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol

(3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol (PubChem CID 129484764) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
PubChem CID129484764
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
SMILESO[C@]1(c2cn[nH]n2)CCN(Cc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C19H20N4O/c24-19(18-12-20-22-21-18)10-11-23(14-19)13-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,12,24H,10-11,13-14H2,(H,20,21,22)/t19-/m1/s1
InChIKeyDRGRRWBCEPWWER-LJQANCHMSA-N
XLogP2.57
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129485616
1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 128978600
(3S)-3-(2H-triazol-4-yl)-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 129486305
2-[2-[[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpropanenitrile
CID 128981204
1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 154756940
1-[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 154756786
1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 128978697
1-[(6-chloroquinolin-8-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol;hydroiodide
CID 167743063
4-fluoro-2-[[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 129484544
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]ethanone
CID 128981058
(3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129482161
3-[2-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
CID 128980985

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol (CID 129484764) is (3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol is O[C@]1(c2cn[nH]n2)CCN(Cc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of (3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The InChIKey is DRGRRWBCEPWWER-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(18-12-20-22-21-18)10-11-23(14-19)13-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,12,24H,10-11,13-14H2,(H,20,21,22)/t19-/m1/s1.
What are the key properties of (3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
(3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol has a molecular weight of 320.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129484764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).