1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea

C18H20N4O2S — CID 126773459

IUPAC1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea
SMILESCc1ccnn1-c1ccccc1NC(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C18H20N4O2S/c1-13-7-9-20-22(13)16-6-4-3-5-15(16)21-17(23)19-12-18(2,24)14-8-10-25-11-14/h3-11,24H,12H2,1-2H3,(H2,19,21,23)
InChIKeyQNUHNUAECMEJQR-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.27
Rot. Bonds5

About 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea (PubChem CID 126773459) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea
PubChem CID126773459
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea
SMILESCc1ccnn1-c1ccccc1NC(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C18H20N4O2S/c1-13-7-9-20-22(13)16-6-4-3-5-15(16)21-17(23)19-12-18(2,24)14-8-10-25-11-14/h3-11,24H,12H2,1-2H3,(H2,19,21,23)
InChIKeyQNUHNUAECMEJQR-UHFFFAOYSA-N
XLogP3.27
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 71847782
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111521345
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 95782891
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 95775579
1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111450574
1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 75523367
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
CID 110007261
1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111450202
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 111450577
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea (CID 126773459) is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea is Cc1ccnn1-c1ccccc1NC(=O)NCC(C)(O)c1ccsc1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea?
The InChIKey is QNUHNUAECMEJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-13-7-9-20-22(13)16-6-4-3-5-15(16)21-17(23)19-12-18(2,24)14-8-10-25-11-14/h3-11,24H,12H2,1-2H3,(H2,19,21,23).
What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea?
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea has a molecular weight of 356.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea is sourced from PubChem (CID 126773459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).