[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone

C23H25N3O3 — CID 155499944

IUPAC[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
SMILESCOc1ccccc1-c1cccc(C(=O)N2C[C@@H](Cc3cc(C)[nH]n3)[C@@H](O)C2)c1
InChIInChI=1S/C23H25N3O3/c1-15-10-19(25-24-15)12-18-13-26(14-21(18)27)23(28)17-7-5-6-16(11-17)20-8-3-4-9-22(20)29-2/h3-11,18,21,27H,12-14H2,1-2H3,(H,24,25)/t18-,21+/m1/s1
InChIKeyZJTKBYQVZSMUKB-NQIIRXRSSA-N
MW391.47 g/mol
LogP3.07
Rot. Bonds5

About [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone

[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone (PubChem CID 155499944) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
PubChem CID155499944
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
SMILESCOc1ccccc1-c1cccc(C(=O)N2C[C@@H](Cc3cc(C)[nH]n3)[C@@H](O)C2)c1
InChIInChI=1S/C23H25N3O3/c1-15-10-19(25-24-15)12-18-13-26(14-21(18)27)23(28)17-7-5-6-16(11-17)20-8-3-4-9-22(20)29-2/h3-11,18,21,27H,12-14H2,1-2H3,(H,24,25)/t18-,21+/m1/s1
InChIKeyZJTKBYQVZSMUKB-NQIIRXRSSA-N
XLogP3.07
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 135108218
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxy-6-methylphenyl)methanone
CID 135115981
[3-(3-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone;formic acid
CID 155971925
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 155503480
[2-(4-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 134710279
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131945890
1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 135118542
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(2-prop-2-enoxyphenyl)methanone
CID 135096905
[4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 135112421
(5,6-dimethyl-3-pyridinyl)-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 135096835
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(4-propoxyphenyl)methanone
CID 135103871
2-(2-chlorophenoxy)-1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]ethanone
CID 134709106

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone (CID 155499944) is [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone is COc1ccccc1-c1cccc(C(=O)N2C[C@@H](Cc3cc(C)[nH]n3)[C@@H](O)C2)c1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The InChIKey is ZJTKBYQVZSMUKB-NQIIRXRSSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-10-19(25-24-15)12-18-13-26(14-21(18)27)23(28)17-7-5-6-16(11-17)20-8-3-4-9-22(20)29-2/h3-11,18,21,27H,12-14H2,1-2H3,(H,24,25)/t18-,21+/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone has a molecular weight of 391.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone is sourced from PubChem (CID 155499944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).