1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione

C19H21N5O3 — CID 72895809

IUPAC1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESCc1cc(C)n(C2CCN(C(=O)c3ccc(N4CC(=O)NC4=O)cc3)C2)n1
InChIInChI=1S/C19H21N5O3/c1-12-9-13(2)24(21-12)16-7-8-22(10-16)18(26)14-3-5-15(6-4-14)23-11-17(25)20-19(23)27/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,20,25,27)
InChIKeyIGMZCWLTQIKCQP-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.64
Rot. Bonds3

About 1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione

1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione (PubChem CID 72895809) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
PubChem CID72895809
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESCc1cc(C)n(C2CCN(C(=O)c3ccc(N4CC(=O)NC4=O)cc3)C2)n1
InChIInChI=1S/C19H21N5O3/c1-12-9-13(2)24(21-12)16-7-8-22(10-16)18(26)14-3-5-15(6-4-14)23-11-17(25)20-19(23)27/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,20,25,27)
InChIKeyIGMZCWLTQIKCQP-UHFFFAOYSA-N
XLogP1.64
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 72877286
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 50969651
5-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95347958
[6-(cyclopropylamino)-3-pyridinyl]-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95344948
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone
CID 91788675
1-[4-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 166624366
6-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 97284744
[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone
CID 97270049
[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 96576599
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-indolizin-3-ylmethanone
CID 162628843
1,3-benzodioxol-5-yl-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95338015
1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 135117926

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione (CID 72895809) is 1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione is Cc1cc(C)n(C2CCN(C(=O)c3ccc(N4CC(=O)NC4=O)cc3)C2)n1.
What is the InChIKey of 1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is IGMZCWLTQIKCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-9-13(2)24(21-12)16-7-8-22(10-16)18(26)14-3-5-15(6-4-14)23-11-17(25)20-19(23)27/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,20,25,27).
What are the key properties of 1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 367.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 72895809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).