N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide

C19H23N5O3 — CID 40797002

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C19H23N5O3/c1-12-15(13(2)24(22-12)14-7-5-4-6-8-14)11-23(3)17(25)10-9-16-18(26)21-19(27)20-16/h4-8,16H,9-11H2,1-3H3,(H2,20,21,26,27)/t16-/m0/s1
InChIKeyLHLKDJXGRMWJPF-INIZCTEOSA-N
MW369.43 g/mol
LogP1.44
Rot. Bonds6

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide (PubChem CID 40797002) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
PubChem CID40797002
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C19H23N5O3/c1-12-15(13(2)24(22-12)14-7-5-4-6-8-14)11-23(3)17(25)10-9-16-18(26)21-19(27)20-16/h4-8,16H,9-11H2,1-3H3,(H2,20,21,26,27)/t16-/m0/s1
InChIKeyLHLKDJXGRMWJPF-INIZCTEOSA-N
XLogP1.44
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 40797001
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
CID 60521825
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 42894795
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,3-trimethylbutanamide
CID 78799265
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 9268418
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 95875737
2-benzhydryloxy-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763735
3-(2,5-dioxoimidazolidin-4-yl)-N-(2-hydroxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 70714353
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
CID 40709624
3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 42114788
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 27854104
2-(3,4-dichlorophenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763365

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide (CID 40797002) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CC[C@@H]1NC(=O)NC1=O.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide?
The InChIKey is LHLKDJXGRMWJPF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12-15(13(2)24(22-12)14-7-5-4-6-8-14)11-23(3)17(25)10-9-16-18(26)21-19(27)20-16/h4-8,16H,9-11H2,1-3H3,(H2,20,21,26,27)/t16-/m0/s1.
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide has a molecular weight of 369.43 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide is sourced from PubChem (CID 40797002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).