1-(2-methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea

C16H16N4O2S — CID 2544536

IUPAC1-(2-methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C16H16N4O2S/c1-22-14-7-3-2-6-13(14)18-16(21)19-15-8-9-17-20(15)11-12-5-4-10-23-12/h2-10H,11H2,1H3,(H2,18,19,21)
InChIKeyUBYWRGLOFSCZHU-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.65
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea

1-(2-methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea (PubChem CID 2544536) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea
PubChem CID2544536
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name1-(2-methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C16H16N4O2S/c1-22-14-7-3-2-6-13(14)18-16(21)19-15-8-9-17-20(15)11-12-5-4-10-23-12/h2-10H,11H2,1H3,(H2,18,19,21)
InChIKeyUBYWRGLOFSCZHU-UHFFFAOYSA-N
XLogP3.65
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea (CID 2544536) is 1-(2-methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea is COc1ccccc1NC(=O)Nc1ccnn1Cc1cccs1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea?
The InChIKey is UBYWRGLOFSCZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-22-14-7-3-2-6-13(14)18-16(21)19-15-8-9-17-20(15)11-12-5-4-10-23-12/h2-10H,11H2,1H3,(H2,18,19,21).
What are the key properties of 1-(2-methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea?
1-(2-methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea has a molecular weight of 328.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 2544536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).