1-(2,5-dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea

C12H16N4OS — CID 47198496

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea
SMILESCc1cc(NC(=O)NCCc2cccs2)n(C)n1
InChIInChI=1S/C12H16N4OS/c1-9-8-11(16(2)15-9)14-12(17)13-6-5-10-4-3-7-18-10/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14,17)
InChIKeyBIHAZOHJWLMZNX-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.15
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea

1-(2,5-dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea (PubChem CID 47198496) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea
PubChem CID47198496
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea
SMILESCc1cc(NC(=O)NCCc2cccs2)n(C)n1
InChIInChI=1S/C12H16N4OS/c1-9-8-11(16(2)15-9)14-12(17)13-6-5-10-4-3-7-18-10/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14,17)
InChIKeyBIHAZOHJWLMZNX-UHFFFAOYSA-N
XLogP2.15
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea (CID 47198496) is 1-(2,5-dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea is Cc1cc(NC(=O)NCCc2cccs2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is BIHAZOHJWLMZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-9-8-11(16(2)15-9)14-12(17)13-6-5-10-4-3-7-18-10/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea?
1-(2,5-dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 264.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 47198496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).