3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione

C9H13N5O2 — CID 62208843

IUPAC3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCc1nn(C)c(N)c1CN1C(=O)CNC1=O
InChIInChI=1S/C9H13N5O2/c1-5-6(8(10)13(2)12-5)4-14-7(15)3-11-9(14)16/h3-4,10H2,1-2H3,(H,11,16)
InChIKeyYNNWEOHVSBRTDX-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.64
Rot. Bonds2

About 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione

3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 62208843) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID62208843
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCc1nn(C)c(N)c1CN1C(=O)CNC1=O
InChIInChI=1S/C9H13N5O2/c1-5-6(8(10)13(2)12-5)4-14-7(15)3-11-9(14)16/h3-4,10H2,1-2H3,(H,11,16)
InChIKeyYNNWEOHVSBRTDX-UHFFFAOYSA-N
XLogP-0.64
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.64
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

1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 62207971
3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one
CID 62209726
1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine
CID 62188450
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine
CID 55045198
4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine
CID 62209773
4-(diethylaminomethyl)-1,3-dimethylpyrazol-5-amine
CID 62178598
3-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidine-2,4-dione
CID 63316060
3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 103601183
1,3-dimethyl-4-[[methyl(propyl)amino]methyl]pyrazol-5-amine
CID 62182033
3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 103601173
1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 62207914
3-[[2-ethyl-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
CID 72850756

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione (CID 62208843) is 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione is Cc1nn(C)c(N)c1CN1C(=O)CNC1=O.
What is the InChIKey of 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is YNNWEOHVSBRTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-5-6(8(10)13(2)12-5)4-14-7(15)3-11-9(14)16/h3-4,10H2,1-2H3,(H,11,16).
What are the key properties of 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione?
3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 223.24 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 62208843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).