(1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol

C18H25N3O2 — CID 100673530

IUPAC(1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
SMILESCOc1ccc([C@@](C)(O)[C@H]2CCCN2Cc2ccnn2C)cc1
InChIInChI=1S/C18H25N3O2/c1-18(22,14-6-8-16(23-3)9-7-14)17-5-4-12-21(17)13-15-10-11-19-20(15)2/h6-11,17,22H,4-5,12-13H2,1-3H3/t17-,18-/m1/s1
InChIKeyJXTZPCVZWCWXAV-QZTJIDSGSA-N
MW315.42 g/mol
LogP2.30
Rot. Bonds5

About (1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol

(1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol (PubChem CID 100673530) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
PubChem CID100673530
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
SMILESCOc1ccc([C@@](C)(O)[C@H]2CCCN2Cc2ccnn2C)cc1
InChIInChI=1S/C18H25N3O2/c1-18(22,14-6-8-16(23-3)9-7-14)17-5-4-12-21(17)13-15-10-11-19-20(15)2/h6-11,17,22H,4-5,12-13H2,1-3H3/t17-,18-/m1/s1
InChIKeyJXTZPCVZWCWXAV-QZTJIDSGSA-N
XLogP2.30
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol?
The IUPAC name of (1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol (CID 100673530) is (1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol is COc1ccc([C@@](C)(O)[C@H]2CCCN2Cc2ccnn2C)cc1.
What is the InChIKey of (1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol?
The InChIKey is JXTZPCVZWCWXAV-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(22,14-6-8-16(23-3)9-7-14)17-5-4-12-21(17)13-15-10-11-19-20(15)2/h6-11,17,22H,4-5,12-13H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of (1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol?
(1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol has a molecular weight of 315.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 100673530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).