[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

C19H23N3O2 — CID 135088921

IUPAC[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCc1cc(C[C@@H]2CN(C(=O)C3(c4ccccc4)CC3)C[C@H]2O)n[nH]1
InChIInChI=1S/C19H23N3O2/c1-13-9-16(21-20-13)10-14-11-22(12-17(14)23)18(24)19(7-8-19)15-5-3-2-4-6-15/h2-6,9,14,17,23H,7-8,10-12H2,1H3,(H,20,21)/t14-,17-/m1/s1
InChIKeyRKZAHSCRFICUEP-RHSMWYFYSA-N
MW325.41 g/mol
LogP1.81
Rot. Bonds4

About [(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 135088921) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID135088921
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCc1cc(C[C@@H]2CN(C(=O)C3(c4ccccc4)CC3)C[C@H]2O)n[nH]1
InChIInChI=1S/C19H23N3O2/c1-13-9-16(21-20-13)10-14-11-22(12-17(14)23)18(24)19(7-8-19)15-5-3-2-4-6-15/h2-6,9,14,17,23H,7-8,10-12H2,1H3,(H,20,21)/t14-,17-/m1/s1
InChIKeyRKZAHSCRFICUEP-RHSMWYFYSA-N
XLogP1.81
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
CID 134708972
1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 135087970
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-phenyltriazol-4-yl)methanone
CID 155499899
2-(2-chlorophenoxy)-1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]ethanone
CID 134709106
[2-(4-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 134710279
1-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 135112508
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxy-6-methylphenyl)methanone
CID 135115981
1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 134698628
1-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 134710379
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(2-prop-2-enoxyphenyl)methanone
CID 135096905
2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid
CID 155494186
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 135120841

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 135088921) is [(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is Cc1cc(C[C@@H]2CN(C(=O)C3(c4ccccc4)CC3)C[C@H]2O)n[nH]1.
What is the InChIKey of [(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is RKZAHSCRFICUEP-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-9-16(21-20-13)10-14-11-22(12-17(14)23)18(24)19(7-8-19)15-5-3-2-4-6-15/h2-6,9,14,17,23H,7-8,10-12H2,1H3,(H,20,21)/t14-,17-/m1/s1.
What are the key properties of [(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 325.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 135088921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).