1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea

C18H20N4OS — CID 51075232

IUPAC1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea
SMILESCCN(Cc1cccs1)C(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H20N4OS/c1-2-21(14-17-9-6-10-24-17)18(23)19-11-15-12-20-22(13-15)16-7-4-3-5-8-16/h3-10,12-13H,2,11,14H2,1H3,(H,19,23)
InChIKeyIXXUJWWGOHAEPT-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.67
Rot. Bonds6

About 1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea

1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea (PubChem CID 51075232) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea
PubChem CID51075232
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea
SMILESCCN(Cc1cccs1)C(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H20N4OS/c1-2-21(14-17-9-6-10-24-17)18(23)19-11-15-12-20-22(13-15)16-7-4-3-5-8-16/h3-10,12-13H,2,11,14H2,1H3,(H,19,23)
InChIKeyIXXUJWWGOHAEPT-UHFFFAOYSA-N
XLogP3.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea (CID 51075232) is 1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea is CCN(Cc1cccs1)C(=O)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea?
The InChIKey is IXXUJWWGOHAEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-2-21(14-17-9-6-10-24-17)18(23)19-11-15-12-20-22(13-15)16-7-4-3-5-8-16/h3-10,12-13H,2,11,14H2,1H3,(H,19,23).
What are the key properties of 1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea?
1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea has a molecular weight of 340.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 51075232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).