3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione

C17H17N5O3 — CID 121017244

IUPAC3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C17H17N5O3/c1-20-14(7-13(19-20)11-5-3-2-4-6-11)16(24)21-9-12(10-21)22-15(23)8-18-17(22)25/h2-7,12H,8-10H2,1H3,(H,18,25)
InChIKeyOGRGLDMBTIVBAZ-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.46
Rot. Bonds3

About 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione

3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121017244) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
PubChem CID121017244
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C17H17N5O3/c1-20-14(7-13(19-20)11-5-3-2-4-6-11)16(24)21-9-12(10-21)22-15(23)8-18-17(22)25/h2-7,12H,8-10H2,1H3,(H,18,25)
InChIKeyOGRGLDMBTIVBAZ-UHFFFAOYSA-N
XLogP0.46
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.46
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

[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 166374697
(1-methyl-3-phenylpyrazol-5-yl)-[(1S,5R)-9-pyrimidin-2-yl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
CID 166614809
(1-methyl-3-phenylpyrazol-5-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 90594212
(1-methyl-3-phenylpyrazol-5-yl)-[(3S)-3-phenylazepan-1-yl]methanone
CID 99979577
(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 42758584
3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 91632068
[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 154576707
(1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257218
3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017264
3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017220
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 90493177
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone
CID 86263894

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione (CID 121017244) is 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione is Cn1nc(-c2ccccc2)cc1C(=O)N1CC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is OGRGLDMBTIVBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-20-14(7-13(19-20)11-5-3-2-4-6-11)16(24)21-9-12(10-21)22-15(23)8-18-17(22)25/h2-7,12H,8-10H2,1H3,(H,18,25).
What are the key properties of 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 339.36 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121017244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).