1-butyl-3-(2-butylpyrazol-3-yl)urea

C12H22N4O — CID 47420496

IUPAC1-butyl-3-(2-butylpyrazol-3-yl)urea
SMILESCCCCNC(=O)Nc1ccnn1CCCC
InChIInChI=1S/C12H22N4O/c1-3-5-8-13-12(17)15-11-7-9-14-16(11)10-6-4-2/h7,9H,3-6,8,10H2,1-2H3,(H2,13,15,17)
InChIKeyULASQAGRBMFIES-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.60
Rot. Bonds7

About 1-butyl-3-(2-butylpyrazol-3-yl)urea

1-butyl-3-(2-butylpyrazol-3-yl)urea (PubChem CID 47420496) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-butyl-3-(2-butylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(2-butylpyrazol-3-yl)urea
PubChem CID47420496
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-butyl-3-(2-butylpyrazol-3-yl)urea
SMILESCCCCNC(=O)Nc1ccnn1CCCC
InChIInChI=1S/C12H22N4O/c1-3-5-8-13-12(17)15-11-7-9-14-16(11)10-6-4-2/h7,9H,3-6,8,10H2,1-2H3,(H2,13,15,17)
InChIKeyULASQAGRBMFIES-UHFFFAOYSA-N
XLogP2.60
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.60
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

N-(2-butylpyrazol-3-yl)-2-chloroacetamide
CID 50987917
N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 47182837
N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide
CID 119286988
N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 60557713
1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea
CID 130637088
1-butyl-3-(1-methylpyrazol-4-yl)urea
CID 115581879
N-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide
CID 60557715
(E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 86983051
N-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 154833804
1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea
CID 125167669
ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate
CID 108813860
N-(2-butylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 47029868

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-butylpyrazol-3-yl)urea?
The IUPAC name of 1-butyl-3-(2-butylpyrazol-3-yl)urea (CID 47420496) is 1-butyl-3-(2-butylpyrazol-3-yl)urea.
What is the SMILES notation for 1-butyl-3-(2-butylpyrazol-3-yl)urea?
The canonical SMILES for 1-butyl-3-(2-butylpyrazol-3-yl)urea is CCCCNC(=O)Nc1ccnn1CCCC.
What is the InChIKey of 1-butyl-3-(2-butylpyrazol-3-yl)urea?
The InChIKey is ULASQAGRBMFIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-5-8-13-12(17)15-11-7-9-14-16(11)10-6-4-2/h7,9H,3-6,8,10H2,1-2H3,(H2,13,15,17).
What are the key properties of 1-butyl-3-(2-butylpyrazol-3-yl)urea?
1-butyl-3-(2-butylpyrazol-3-yl)urea has a molecular weight of 238.33 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-butylpyrazol-3-yl)urea is sourced from PubChem (CID 47420496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).