1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea

C12H16N4O2 — CID 47176690

IUPAC1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea
SMILESO=C(NCCCn1cccn1)NCc1ccco1
InChIInChI=1S/C12H16N4O2/c17-12(14-10-11-4-1-9-18-11)13-5-2-7-16-8-3-6-15-16/h1,3-4,6,8-9H,2,5,7,10H2,(H2,13,14,17)
InChIKeyFTLCKSFCUBXDIY-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.37
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea

1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea (PubChem CID 47176690) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea
PubChem CID47176690
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea
SMILESO=C(NCCCn1cccn1)NCc1ccco1
InChIInChI=1S/C12H16N4O2/c17-12(14-10-11-4-1-9-18-11)13-5-2-7-16-8-3-6-15-16/h1,3-4,6,8-9H,2,5,7,10H2,(H2,13,14,17)
InChIKeyFTLCKSFCUBXDIY-UHFFFAOYSA-N
XLogP1.37
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86994306
6-(furan-2-ylmethylcarbamoylamino)hexanoic acid
CID 61188617
N-(furan-2-ylmethyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)propanamide
CID 61462816
1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea
CID 71968332
1-(3-pyrazol-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 113223590
1-[2-(furan-2-yl)ethyl]-2-(2-methylprop-2-enyl)-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111353481
1-butyl-3-[2-(furan-2-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111356517
2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid
CID 113413056
2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 126418599
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883809

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea (CID 47176690) is 1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea is O=C(NCCCn1cccn1)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea?
The InChIKey is FTLCKSFCUBXDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-12(14-10-11-4-1-9-18-11)13-5-2-7-16-8-3-6-15-16/h1,3-4,6,8-9H,2,5,7,10H2,(H2,13,14,17).
What are the key properties of 1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea?
1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea has a molecular weight of 248.29 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea is sourced from PubChem (CID 47176690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).