1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione

C9H12N4O2 — CID 123337139

IUPAC1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
SMILESCN1C(=O)N(c2cn[nH]c2)C(=O)C1(C)C
InChIInChI=1S/C9H12N4O2/c1-9(2)7(14)13(8(15)12(9)3)6-4-10-11-5-6/h4-5H,1-3H3,(H,10,11)
InChIKeyQNVOLYNVAXDFSI-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.59
Rot. Bonds1

About 1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione

1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione (PubChem CID 123337139) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
PubChem CID123337139
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
SMILESCN1C(=O)N(c2cn[nH]c2)C(=O)C1(C)C
InChIInChI=1S/C9H12N4O2/c1-9(2)7(14)13(8(15)12(9)3)6-4-10-11-5-6/h4-5H,1-3H3,(H,10,11)
InChIKeyQNVOLYNVAXDFSI-UHFFFAOYSA-N
XLogP0.59
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-2,4-dioxo-6-(1H-pyrazol-4-ylamino)pyrimidine-5-carbonitrile
CID 37705238
1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
CID 71893198
1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 71893203
(2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide
CID 95628337
N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
CID 20784959
1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 67385083
3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 67385085
1-(1H-pyrazol-4-yl)imidazolidin-2-one
CID 68784625
methyl N-[(2Z,4Z)-1-[2,4-dioxo-3-(1H-pyrazol-4-yl)imidazolidin-1-yl]hexa-2,4-dien-2-yl]methanimidate
CID 118075079
2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylic acid
CID 122573832
3,3-Dimethyl-1-(1h-pyrazol-4-yl)-2-piperazinone
CID 122573920
1-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione
CID 138987766

Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
The IUPAC name of 1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione (CID 123337139) is 1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for 1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione is CN1C(=O)N(c2cn[nH]c2)C(=O)C1(C)C.
What is the InChIKey of 1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
The InChIKey is QNVOLYNVAXDFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-9(2)7(14)13(8(15)12(9)3)6-4-10-11-5-6/h4-5H,1-3H3,(H,10,11).
What are the key properties of 1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 208.22 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 123337139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).