1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

C17H20N4O2S — CID 122244431

IUPAC1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCc1cc(C)n(C(CNC(=O)NCc2cccs2)c2ccco2)n1
InChIInChI=1S/C17H20N4O2S/c1-12-9-13(2)21(20-12)15(16-6-3-7-23-16)11-19-17(22)18-10-14-5-4-8-24-14/h3-9,15H,10-11H2,1-2H3,(H2,18,19,22)
InChIKeyFMKBOLIOSIQDTG-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.24
Rot. Bonds6

About 1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 122244431) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID122244431
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCc1cc(C)n(C(CNC(=O)NCc2cccs2)c2ccco2)n1
InChIInChI=1S/C17H20N4O2S/c1-12-9-13(2)21(20-12)15(16-6-3-7-23-16)11-19-17(22)18-10-14-5-4-8-24-14/h3-9,15H,10-11H2,1-2H3,(H2,18,19,22)
InChIKeyFMKBOLIOSIQDTG-UHFFFAOYSA-N
XLogP3.24
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 122244395
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]furan-2-carboxamide
CID 122244387
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxyacetamide
CID 122265475
1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 93482584
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 122265553
N'-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-N-prop-2-enyloxamide
CID 122265812
1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 99876553
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122265668
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 122265497
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 122244394
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 122244396
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 122265518

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (CID 122244431) is 1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is Cc1cc(C)n(C(CNC(=O)NCc2cccs2)c2ccco2)n1.
What is the InChIKey of 1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is FMKBOLIOSIQDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12-9-13(2)21(20-12)15(16-6-3-7-23-16)11-19-17(22)18-10-14-5-4-8-24-14/h3-9,15H,10-11H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 344.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 122244431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).