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

C19H23N5O3 — CID 8962429

IUPAC3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C19H23N5O3/c1-19(2)17(26)23(18(27)21-19)10-9-16(25)22(3)12-14-11-20-24(13-14)15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3,(H,21,27)
InChIKeyUTULZNTYJSYVGB-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.55
Rot. Bonds6

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

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (PubChem CID 8962429) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
PubChem CID8962429
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C19H23N5O3/c1-19(2)17(26)23(18(27)21-19)10-9-16(25)22(3)12-14-11-20-24(13-14)15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3,(H,21,27)
InChIKeyUTULZNTYJSYVGB-UHFFFAOYSA-N
XLogP1.55
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.55
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

N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 92786816
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
4-(2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 8961676
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 47094696
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]propanamide
CID 8974460
3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47022940
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47026270
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 25487197
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 70761761

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (CID 8962429) is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The InChIKey is UTULZNTYJSYVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-19(2)17(26)23(18(27)21-19)10-9-16(25)22(3)12-14-11-20-24(13-14)15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3,(H,21,27).
What are the key properties of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide has a molecular weight of 369.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 8962429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).