1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea

C13H24N4O — CID 110747708

IUPAC1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
SMILESCc1cc(C)n(CCNC(=O)NCC(C)(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10-8-11(2)17(16-10)7-6-14-12(18)15-9-13(3,4)5/h8H,6-7,9H2,1-5H3,(H2,14,15,18)
InChIKeyUKOPJXLLFDMEIH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.85
Rot. Bonds4

About 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea

1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea (PubChem CID 110747708) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
PubChem CID110747708
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
SMILESCc1cc(C)n(CCNC(=O)NCC(C)(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10-8-11(2)17(16-10)7-6-14-12(18)15-9-13(3,4)5/h8H,6-7,9H2,1-5H3,(H2,14,15,18)
InChIKeyUKOPJXLLFDMEIH-UHFFFAOYSA-N
XLogP1.85
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetate
CID 115571558
2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide
CID 82110482
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 111503918
1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 35766516
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
CID 71782926
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[2-(methanesulfonamido)ethyl]urea
CID 86993163
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
CID 122626197
1-(4-tert-butylphenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 166207403
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
CID 35761342
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide
CID 71782924

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea (CID 110747708) is 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea is Cc1cc(C)n(CCNC(=O)NCC(C)(C)C)n1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea?
The InChIKey is UKOPJXLLFDMEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10-8-11(2)17(16-10)7-6-14-12(18)15-9-13(3,4)5/h8H,6-7,9H2,1-5H3,(H2,14,15,18).
What are the key properties of 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea?
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea has a molecular weight of 252.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 110747708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).