3-(1-tert-butylpyrazol-4-yl)-1,1-dimethylurea

C10H18N4O — CID 13469818

IUPAC3-(1-tert-butylpyrazol-4-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cnn(C(C)(C)C)c1
InChIInChI=1S/C10H18N4O/c1-10(2,3)14-7-8(6-11-14)12-9(15)13(4)5/h6-7H,1-5H3,(H,12,15)
InChIKeyOFPROTICOFWMNG-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.73
Rot. Bonds1

About 3-(1-tert-butylpyrazol-4-yl)-1,1-dimethylurea

3-(1-tert-butylpyrazol-4-yl)-1,1-dimethylurea (PubChem CID 13469818) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(1-tert-butylpyrazol-4-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(1-tert-butylpyrazol-4-yl)-1,1-dimethylurea
PubChem CID13469818
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-(1-tert-butylpyrazol-4-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cnn(C(C)(C)C)c1
InChIInChI=1S/C10H18N4O/c1-10(2,3)14-7-8(6-11-14)12-9(15)13(4)5/h6-7H,1-5H3,(H,12,15)
InChIKeyOFPROTICOFWMNG-UHFFFAOYSA-N
XLogP1.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylpyrazol-4-yl)-1,1-dimethylurea?
The IUPAC name of 3-(1-tert-butylpyrazol-4-yl)-1,1-dimethylurea (CID 13469818) is 3-(1-tert-butylpyrazol-4-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(1-tert-butylpyrazol-4-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(1-tert-butylpyrazol-4-yl)-1,1-dimethylurea is CN(C)C(=O)Nc1cnn(C(C)(C)C)c1.
What is the InChIKey of 3-(1-tert-butylpyrazol-4-yl)-1,1-dimethylurea?
The InChIKey is OFPROTICOFWMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10(2,3)14-7-8(6-11-14)12-9(15)13(4)5/h6-7H,1-5H3,(H,12,15).
What are the key properties of 3-(1-tert-butylpyrazol-4-yl)-1,1-dimethylurea?
3-(1-tert-butylpyrazol-4-yl)-1,1-dimethylurea has a molecular weight of 210.28 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylpyrazol-4-yl)-1,1-dimethylurea is sourced from PubChem (CID 13469818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).