1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea

C12H20N4O — CID 47221371

IUPAC1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea
SMILESCC(NC(=O)NCCCn1cccn1)C1CC1
InChIInChI=1S/C12H20N4O/c1-10(11-4-5-11)15-12(17)13-6-2-8-16-9-3-7-14-16/h3,7,9-11H,2,4-6,8H2,1H3,(H2,13,15,17)
InChIKeyPXJSNENFEUOUKM-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.37
Rot. Bonds6

About 1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea

1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea (PubChem CID 47221371) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea
PubChem CID47221371
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea
SMILESCC(NC(=O)NCCCn1cccn1)C1CC1
InChIInChI=1S/C12H20N4O/c1-10(11-4-5-11)15-12(17)13-6-2-8-16-9-3-7-14-16/h3,7,9-11H,2,4-6,8H2,1H3,(H2,13,15,17)
InChIKeyPXJSNENFEUOUKM-UHFFFAOYSA-N
XLogP1.37
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.37
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

3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
(2S)-4-hydroxy-2-(3-pyrazol-1-ylpropylcarbamoylamino)butanoic acid
CID 114005816
3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid
CID 114188996
N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide
CID 113223084
N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine
CID 115708587
1-(2-hydroxypentyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 111337992
3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide
CID 103977172
5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid
CID 103995727
2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid
CID 113413056
2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 115761179
1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea
CID 99620513

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea (CID 47221371) is 1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea is CC(NC(=O)NCCCn1cccn1)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea?
The InChIKey is PXJSNENFEUOUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(11-4-5-11)15-12(17)13-6-2-8-16-9-3-7-14-16/h3,7,9-11H,2,4-6,8H2,1H3,(H2,13,15,17).
What are the key properties of 1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea?
1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea has a molecular weight of 236.32 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea is sourced from PubChem (CID 47221371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).