1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea

C17H18N4O2S — CID 95775579

IUPAC1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea
SMILESC[C@@](O)(CNC(=O)Nc1cccc(-n2cccn2)c1)c1ccsc1
InChIInChI=1S/C17H18N4O2S/c1-17(23,13-6-9-24-11-13)12-18-16(22)20-14-4-2-5-15(10-14)21-8-3-7-19-21/h2-11,23H,12H2,1H3,(H2,18,20,22)/t17-/m1/s1
InChIKeyARKLFRITNBTTHC-QGZVFWFLSA-N
MW342.42 g/mol
LogP2.96
Rot. Bonds5

About 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea

1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea (PubChem CID 95775579) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea
PubChem CID95775579
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea
SMILESC[C@@](O)(CNC(=O)Nc1cccc(-n2cccn2)c1)c1ccsc1
InChIInChI=1S/C17H18N4O2S/c1-17(23,13-6-9-24-11-13)12-18-16(22)20-14-4-2-5-15(10-14)21-8-3-7-19-21/h2-11,23H,12H2,1H3,(H2,18,20,22)/t17-/m1/s1
InChIKeyARKLFRITNBTTHC-QGZVFWFLSA-N
XLogP2.96
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111450202
1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111453026
1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 75523367
4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid
CID 122076454
1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 95782891
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea
CID 126773459
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(4-nitrophenyl)urea
CID 95775457
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 154834572
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111521345
1-(3-pyrazol-1-ylphenyl)-3-[3-(pyridin-2-ylamino)propyl]urea
CID 47048736
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111475357

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea (CID 95775579) is 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea is C[C@@](O)(CNC(=O)Nc1cccc(-n2cccn2)c1)c1ccsc1.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea?
The InChIKey is ARKLFRITNBTTHC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-17(23,13-6-9-24-11-13)12-18-16(22)20-14-4-2-5-15(10-14)21-8-3-7-19-21/h2-11,23H,12H2,1H3,(H2,18,20,22)/t17-/m1/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea?
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea has a molecular weight of 342.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 95775579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).