1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea

C15H16N4O2S — CID 122244847

IUPAC1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCn1cc(-c2ccoc2)cn1)NCc1cccs1
InChIInChI=1S/C15H16N4O2S/c20-15(17-9-14-2-1-7-22-14)16-4-5-19-10-13(8-18-19)12-3-6-21-11-12/h1-3,6-8,10-11H,4-5,9H2,(H2,16,17,20)
InChIKeyYPEIXBKDBFSOCS-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.70
Rot. Bonds6

About 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea

1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 122244847) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID122244847
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCn1cc(-c2ccoc2)cn1)NCc1cccs1
InChIInChI=1S/C15H16N4O2S/c20-15(17-9-14-2-1-7-22-14)16-4-5-19-10-13(8-18-19)12-3-6-21-11-12/h1-3,6-8,10-11H,4-5,9H2,(H2,16,17,20)
InChIKeyYPEIXBKDBFSOCS-UHFFFAOYSA-N
XLogP2.70
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea (CID 122244847) is 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCCn1cc(-c2ccoc2)cn1)NCc1cccs1.
What is the InChIKey of 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is YPEIXBKDBFSOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c20-15(17-9-14-2-1-7-22-14)16-4-5-19-10-13(8-18-19)12-3-6-21-11-12/h1-3,6-8,10-11H,4-5,9H2,(H2,16,17,20).
What are the key properties of 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 316.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 122244847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).