1,1-dimethyl-3-(2-oxoethyl)-3-(1H-pyrazol-4-yl)urea;ethane

C10H18N4O2 — CID 176672491

IUPAC1,1-dimethyl-3-(2-oxoethyl)-3-(1H-pyrazol-4-yl)urea;ethane
SMILESCC.CN(C)C(=O)N(CC=O)c1cn[nH]c1
InChIInChI=1S/C8H12N4O2.C2H6/c1-11(2)8(14)12(3-4-13)7-5-9-10-6-7;1-2/h4-6H,3H2,1-2H3,(H,9,10);1-2H3
InChIKeyJNFBHEIGCXOABP-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.12
Rot. Bonds3

About 1,1-dimethyl-3-(2-oxoethyl)-3-(1H-pyrazol-4-yl)urea;ethane

1,1-dimethyl-3-(2-oxoethyl)-3-(1H-pyrazol-4-yl)urea;ethane (PubChem CID 176672491) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1,1-dimethyl-3-(2-oxoethyl)-3-(1H-pyrazol-4-yl)urea;ethane.

Molecular Properties

Compound Name1,1-dimethyl-3-(2-oxoethyl)-3-(1H-pyrazol-4-yl)urea;ethane
PubChem CID176672491
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name1,1-dimethyl-3-(2-oxoethyl)-3-(1H-pyrazol-4-yl)urea;ethane
SMILESCC.CN(C)C(=O)N(CC=O)c1cn[nH]c1
InChIInChI=1S/C8H12N4O2.C2H6/c1-11(2)8(14)12(3-4-13)7-5-9-10-6-7;1-2/h4-6H,3H2,1-2H3,(H,9,10);1-2H3
InChIKeyJNFBHEIGCXOABP-UHFFFAOYSA-N
XLogP1.12
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(2-oxoethyl)-3-(1H-pyrazol-4-yl)urea;ethane?
The IUPAC name of 1,1-dimethyl-3-(2-oxoethyl)-3-(1H-pyrazol-4-yl)urea;ethane (CID 176672491) is 1,1-dimethyl-3-(2-oxoethyl)-3-(1H-pyrazol-4-yl)urea;ethane.
What is the SMILES notation for 1,1-dimethyl-3-(2-oxoethyl)-3-(1H-pyrazol-4-yl)urea;ethane?
The canonical SMILES for 1,1-dimethyl-3-(2-oxoethyl)-3-(1H-pyrazol-4-yl)urea;ethane is CC.CN(C)C(=O)N(CC=O)c1cn[nH]c1.
What is the InChIKey of 1,1-dimethyl-3-(2-oxoethyl)-3-(1H-pyrazol-4-yl)urea;ethane?
The InChIKey is JNFBHEIGCXOABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2.C2H6/c1-11(2)8(14)12(3-4-13)7-5-9-10-6-7;1-2/h4-6H,3H2,1-2H3,(H,9,10);1-2H3.
What are the key properties of 1,1-dimethyl-3-(2-oxoethyl)-3-(1H-pyrazol-4-yl)urea;ethane?
1,1-dimethyl-3-(2-oxoethyl)-3-(1H-pyrazol-4-yl)urea;ethane has a molecular weight of 226.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(2-oxoethyl)-3-(1H-pyrazol-4-yl)urea;ethane is sourced from PubChem (CID 176672491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).