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

C17H18N4O2S — CID 95775582

IUPAC1-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea
SMILESO=C(Nc1cccc(-n2cccn2)c1)N[C@H](CCO)c1cccs1
InChIInChI=1S/C17H18N4O2S/c22-10-7-15(16-6-2-11-24-16)20-17(23)19-13-4-1-5-14(12-13)21-9-3-8-18-21/h1-6,8-9,11-12,15,22H,7,10H2,(H2,19,20,23)/t15-/m1/s1
InChIKeyURIGEUBFSRKAMQ-OAHLLOKOSA-N
MW342.42 g/mol
LogP3.18
Rot. Bonds6

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

1-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea (PubChem CID 95775582) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea
PubChem CID95775582
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea
SMILESO=C(Nc1cccc(-n2cccn2)c1)N[C@H](CCO)c1cccs1
InChIInChI=1S/C17H18N4O2S/c22-10-7-15(16-6-2-11-24-16)20-17(23)19-13-4-1-5-14(12-13)21-9-3-8-18-21/h1-6,8-9,11-12,15,22H,7,10H2,(H2,19,20,23)/t15-/m1/s1
InChIKeyURIGEUBFSRKAMQ-OAHLLOKOSA-N
XLogP3.18
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-(3-pyrazol-1-ylphenyl)butanamide
CID 62856845
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 95904281
1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55746519
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
5-amino-2-methyl-N-(3-pyrazol-1-ylphenyl)pentanamide
CID 104683774
4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid
CID 122076454
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 96525273
1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 96525270
ethyl 5-[[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]carbamoylamino]-1-benzothiophene-2-carboxylate
CID 97100281
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 95775579

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea (CID 95775582) is 1-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea is O=C(Nc1cccc(-n2cccn2)c1)N[C@H](CCO)c1cccs1.
What is the InChIKey of 1-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea?
The InChIKey is URIGEUBFSRKAMQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-10-7-15(16-6-2-11-24-16)20-17(23)19-13-4-1-5-14(12-13)21-9-3-8-18-21/h1-6,8-9,11-12,15,22H,7,10H2,(H2,19,20,23)/t15-/m1/s1.
What are the key properties of 1-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea?
1-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea has a molecular weight of 342.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 95775582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).