1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea

C13H22N4O — CID 113233160

IUPAC1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
SMILESCc1cc(C)n(CCCNC(=O)NC2CCC2)n1
InChIInChI=1S/C13H22N4O/c1-10-9-11(2)17(16-10)8-4-7-14-13(18)15-12-5-3-6-12/h9,12H,3-8H2,1-2H3,(H2,14,15,18)
InChIKeyPOPOVAHDOZFAGM-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.74
Rot. Bonds5

About 1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea

1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea (PubChem CID 113233160) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
PubChem CID113233160
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
SMILESCc1cc(C)n(CCCNC(=O)NC2CCC2)n1
InChIInChI=1S/C13H22N4O/c1-10-9-11(2)17(16-10)8-4-7-14-13(18)15-12-5-3-6-12/h9,12H,3-8H2,1-2H3,(H2,14,15,18)
InChIKeyPOPOVAHDOZFAGM-UHFFFAOYSA-N
XLogP1.74
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19575124
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
CID 78880682
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 78880674
2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 115574328
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
N-cyclohexyl-2-[[N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111280151
1-(3-cyclohexyloxypropyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 86993142
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 115737973
1-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 114538459
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426633
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536339

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea?
The IUPAC name of 1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea (CID 113233160) is 1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea is Cc1cc(C)n(CCCNC(=O)NC2CCC2)n1.
What is the InChIKey of 1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea?
The InChIKey is POPOVAHDOZFAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-9-11(2)17(16-10)8-4-7-14-13(18)15-12-5-3-6-12/h9,12H,3-8H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea?
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea has a molecular weight of 250.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea is sourced from PubChem (CID 113233160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).