1-propyl-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea

C13H18N4OS — CID 86266409

IUPAC1-propyl-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea
SMILESCCCNC(=O)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C13H18N4OS/c1-2-5-14-13(18)15-6-8-17-7-3-12(16-17)11-4-9-19-10-11/h3-4,7,9-10H,2,5-6,8H2,1H3,(H2,14,15,18)
InChIKeyFNUJISGGAZBRHM-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.32
Rot. Bonds6

About 1-propyl-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea

1-propyl-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea (PubChem CID 86266409) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-propyl-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-propyl-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea
PubChem CID86266409
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-propyl-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea
SMILESCCCNC(=O)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C13H18N4OS/c1-2-5-14-13(18)15-6-8-17-7-3-12(16-17)11-4-9-19-10-11/h3-4,7,9-10H,2,5-6,8H2,1H3,(H2,14,15,18)
InChIKeyFNUJISGGAZBRHM-UHFFFAOYSA-N
XLogP2.32
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-propyl-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea (CID 86266409) is 1-propyl-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-propyl-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-propyl-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea is CCCNC(=O)NCCn1ccc(-c2ccsc2)n1.
What is the InChIKey of 1-propyl-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea?
The InChIKey is FNUJISGGAZBRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-2-5-14-13(18)15-6-8-17-7-3-12(16-17)11-4-9-19-10-11/h3-4,7,9-10H,2,5-6,8H2,1H3,(H2,14,15,18).
What are the key properties of 1-propyl-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea?
1-propyl-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea has a molecular weight of 278.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 86266409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).