1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea

C10H18N4O — CID 108813276

IUPAC1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NC(C)(C)C)nn1C
InChIInChI=1S/C10H18N4O/c1-7-6-8(13-14(7)5)11-9(15)12-10(2,3)4/h6H,1-5H3,(H2,11,12,13,15)
InChIKeyKDZMAKZLYBUOKD-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.65
Rot. Bonds1

About 1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea

1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea (PubChem CID 108813276) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea
PubChem CID108813276
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NC(C)(C)C)nn1C
InChIInChI=1S/C10H18N4O/c1-7-6-8(13-14(7)5)11-9(15)12-10(2,3)4/h6H,1-5H3,(H2,11,12,13,15)
InChIKeyKDZMAKZLYBUOKD-UHFFFAOYSA-N
XLogP1.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid
CID 108813242
2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 130496766
1-(1,5-dimethylpyrazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108813241
3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide
CID 114253602
(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide
CID 126982193
1-(1,5-dimethylpyrazol-3-yl)-3-(2-ethylphenyl)urea
CID 108813453
N-(1,5-dimethylpyrazol-3-yl)cyclopentanecarboxamide
CID 35761222
1-[4,4-difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea
CID 167838270
N-(1,5-dimethylpyrazol-3-yl)-3-methoxypropanamide
CID 35761217
1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813456
N-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide
CID 114253835
2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 39854030

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea?
The IUPAC name of 1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea (CID 108813276) is 1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea is Cc1cc(NC(=O)NC(C)(C)C)nn1C.
What is the InChIKey of 1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea?
The InChIKey is KDZMAKZLYBUOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7-6-8(13-14(7)5)11-9(15)12-10(2,3)4/h6H,1-5H3,(H2,11,12,13,15).
What are the key properties of 1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea?
1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea has a molecular weight of 210.28 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea is sourced from PubChem (CID 108813276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).