(5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]imidazolidine-2,4-dione

C19H20N6O4 — CID 166356750

IUPAC(5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCc1c(N2C(=O)N[C@H](Cc3c[nH]n(C)c3=O)C2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H20N6O4/c1-11-15(18(28)25(23(11)3)13-7-5-4-6-8-13)24-17(27)14(21-19(24)29)9-12-10-20-22(2)16(12)26/h4-8,10,14,20H,9H2,1-3H3,(H,21,29)/t14-/m1/s1
InChIKeyISVPSOJZHXICGQ-CQSZACIVSA-N
MW396.41 g/mol
LogP0.18
Rot. Bonds4

About (5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]imidazolidine-2,4-dione

(5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 166356750) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is (5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID166356750
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC Name(5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCc1c(N2C(=O)N[C@H](Cc3c[nH]n(C)c3=O)C2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H20N6O4/c1-11-15(18(28)25(23(11)3)13-7-5-4-6-8-13)24-17(27)14(21-19(24)29)9-12-10-20-22(2)16(12)26/h4-8,10,14,20H,9H2,1-3H3,(H,21,29)/t14-/m1/s1
InChIKeyISVPSOJZHXICGQ-CQSZACIVSA-N
XLogP0.18
TPSA114.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethyl-4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-phenylpyrazol-3-one
CID 101369227
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41147262
(3aR,4R,7S,7aR)-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 6548715
2-[(5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate
CID 6988865
CID 175754430
CID 175754430
4-[3-chloro-2-(2,6-dichlorophenyl)-4-oxoazetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 4277177
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-2-carboxamide
CID 119669112
1,5-dimethyl-2-phenyl-4-[1,2,2-tris(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethyl]pyrazol-3-one
CID 3366535
6-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
CID 1356461
2,2,2-trichloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 818335
(5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione
CID 92538299
2,4-dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde
CID 2394060

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]imidazolidine-2,4-dione (CID 166356750) is (5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]imidazolidine-2,4-dione is Cc1c(N2C(=O)N[C@H](Cc3c[nH]n(C)c3=O)C2=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of (5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is ISVPSOJZHXICGQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-11-15(18(28)25(23(11)3)13-7-5-4-6-8-13)24-17(27)14(21-19(24)29)9-12-10-20-22(2)16(12)26/h4-8,10,14,20H,9H2,1-3H3,(H,21,29)/t14-/m1/s1.
What are the key properties of (5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]imidazolidine-2,4-dione?
(5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 396.41 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 166356750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).