(5S)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione

C17H20N4O3 — CID 154788811

IUPAC(5S)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCOc1ccc(Cn2cc(N3C(=O)N[C@@H](C(C)C)C3=O)cn2)cc1
InChIInChI=1S/C17H20N4O3/c1-11(2)15-16(22)21(17(23)19-15)13-8-18-20(10-13)9-12-4-6-14(24-3)7-5-12/h4-8,10-11,15H,9H2,1-3H3,(H,19,23)/t15-/m0/s1
InChIKeyNCGWQSNHORXIHS-HNNXBMFYSA-N
MW328.37 g/mol
LogP2.02
Rot. Bonds5

About (5S)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione

(5S)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 154788811) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (5S)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID154788811
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(5S)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCOc1ccc(Cn2cc(N3C(=O)N[C@@H](C(C)C)C3=O)cn2)cc1
InChIInChI=1S/C17H20N4O3/c1-11(2)15-16(22)21(17(23)19-15)13-8-18-20(10-13)9-12-4-6-14(24-3)7-5-12/h4-8,10-11,15H,9H2,1-3H3,(H,19,23)/t15-/m0/s1
InChIKeyNCGWQSNHORXIHS-HNNXBMFYSA-N
XLogP2.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.02
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

(3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine
CID 95387512
4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 155787800
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
(3aS,4R,7S,7aR)-2-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 51427389
(5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione
CID 93037488
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 57422473
3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine
CID 72855762
5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid
CID 122559517
(2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid
CID 97277528
tert-butyl 4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate
CID 121305369
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527
2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 17023453

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione (CID 154788811) is (5S)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione is COc1ccc(Cn2cc(N3C(=O)N[C@@H](C(C)C)C3=O)cn2)cc1.
What is the InChIKey of (5S)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is NCGWQSNHORXIHS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11(2)15-16(22)21(17(23)19-15)13-8-18-20(10-13)9-12-4-6-14(24-3)7-5-12/h4-8,10-11,15H,9H2,1-3H3,(H,19,23)/t15-/m0/s1.
What are the key properties of (5S)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione?
(5S)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 328.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 154788811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).