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

C25H26FN5O3 — CID 24516173

IUPAC4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide
SMILESCC1(C)NC(=O)N(CCCC(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O
InChIInChI=1S/C25H26FN5O3/c1-25(2)23(33)30(24(34)28-25)14-6-9-21(32)27-15-18-16-31(20-7-4-3-5-8-20)29-22(18)17-10-12-19(26)13-11-17/h3-5,7-8,10-13,16H,6,9,14-15H2,1-2H3,(H,27,32)(H,28,34)
InChIKeyVZQATRGQZPYWGK-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.41
Rot. Bonds8

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

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide (PubChem CID 24516173) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide.

Molecular Properties

Compound Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide
PubChem CID24516173
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide
SMILESCC1(C)NC(=O)N(CCCC(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O
InChIInChI=1S/C25H26FN5O3/c1-25(2)23(33)30(24(34)28-25)14-6-9-21(32)27-15-18-16-31(20-7-4-3-5-8-20)29-22(18)17-10-12-19(26)13-11-17/h3-5,7-8,10-13,16H,6,9,14-15H2,1-2H3,(H,27,32)(H,28,34)
InChIKeyVZQATRGQZPYWGK-UHFFFAOYSA-N
XLogP3.41
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.41
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-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 25485657
5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide
CID 31340751
N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 42889854
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 24551862
3-fluoro-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551889
2-(5-acetyl-2-methoxyphenyl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
CID 24504119
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 24504154
(E)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 27173171
2-ethoxy-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551887
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26037018
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 46511717
5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide
CID 24551892

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide?
The IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide (CID 24516173) is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide.
What is the SMILES notation for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide?
The canonical SMILES for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide is CC1(C)NC(=O)N(CCCC(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O.
What is the InChIKey of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide?
The InChIKey is VZQATRGQZPYWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c1-25(2)23(33)30(24(34)28-25)14-6-9-21(32)27-15-18-16-31(20-7-4-3-5-8-20)29-22(18)17-10-12-19(26)13-11-17/h3-5,7-8,10-13,16H,6,9,14-15H2,1-2H3,(H,27,32)(H,28,34).
What are the key properties of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide?
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide has a molecular weight of 463.51 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide is sourced from PubChem (CID 24516173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).