1-(2,5-dimethylpyrazol-3-yl)-3-methylurea

C7H12N4O — CID 2818773

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-methylurea
SMILESCNC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C7H12N4O/c1-5-4-6(11(3)10-5)9-7(12)8-2/h4H,1-3H3,(H2,8,9,12)
InChIKeyILNYJNNAHWOTDX-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.48
Rot. Bonds1

About 1-(2,5-dimethylpyrazol-3-yl)-3-methylurea

1-(2,5-dimethylpyrazol-3-yl)-3-methylurea (PubChem CID 2818773) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-methylurea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-methylurea
PubChem CID2818773
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-methylurea
SMILESCNC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C7H12N4O/c1-5-4-6(11(3)10-5)9-7(12)8-2/h4H,1-3H3,(H2,8,9,12)
InChIKeyILNYJNNAHWOTDX-UHFFFAOYSA-N
XLogP0.48
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-methylurea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-methylurea (CID 2818773) is 1-(2,5-dimethylpyrazol-3-yl)-3-methylurea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-methylurea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-methylurea is CNC(=O)Nc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-methylurea?
The InChIKey is ILNYJNNAHWOTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5-4-6(11(3)10-5)9-7(12)8-2/h4H,1-3H3,(H2,8,9,12).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-methylurea?
1-(2,5-dimethylpyrazol-3-yl)-3-methylurea has a molecular weight of 168.20 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-methylurea is sourced from PubChem (CID 2818773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).