1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one

C19H23N5O3 — CID 135118542

IUPAC1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCc1cc(C[C@@H]2CN(C(=O)c3cccc(N4CCNC4=O)c3)C[C@H]2O)n[nH]1
InChIInChI=1S/C19H23N5O3/c1-12-7-15(22-21-12)8-14-10-23(11-17(14)25)18(26)13-3-2-4-16(9-13)24-6-5-20-19(24)27/h2-4,7,9,14,17,25H,5-6,8,10-11H2,1H3,(H,20,27)(H,21,22)/t14-,17-/m1/s1
InChIKeyWDDIUBPFDNUQGV-RHSMWYFYSA-N
MW369.43 g/mol
LogP0.92
Rot. Bonds4

About 1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one

1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 135118542) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID135118542
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCc1cc(C[C@@H]2CN(C(=O)c3cccc(N4CCNC4=O)c3)C[C@H]2O)n[nH]1
InChIInChI=1S/C19H23N5O3/c1-12-7-15(22-21-12)8-14-10-23(11-17(14)25)18(26)13-3-2-4-16(9-13)24-6-5-20-19(24)27/h2-4,7,9,14,17,25H,5-6,8,10-11H2,1H3,(H,20,27)(H,21,22)/t14-,17-/m1/s1
InChIKeyWDDIUBPFDNUQGV-RHSMWYFYSA-N
XLogP0.92
TPSA101.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[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]-[3-(2-methoxyphenyl)phenyl]methanone
CID 155499944
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 135108218
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 155503480
[4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 135112421
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxy-6-methylphenyl)methanone
CID 135115981
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-phenyltriazol-4-yl)methanone
CID 155499899
(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-(4-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 134710279
3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]chromen-2-one
CID 171909880
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 135101939

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one (CID 135118542) is 1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one is Cc1cc(C[C@@H]2CN(C(=O)c3cccc(N4CCNC4=O)c3)C[C@H]2O)n[nH]1.
What is the InChIKey of 1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is WDDIUBPFDNUQGV-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12-7-15(22-21-12)8-14-10-23(11-17(14)25)18(26)13-3-2-4-16(9-13)24-6-5-20-19(24)27/h2-4,7,9,14,17,25H,5-6,8,10-11H2,1H3,(H,20,27)(H,21,22)/t14-,17-/m1/s1.
What are the key properties of 1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 369.43 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 135118542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).