1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea

C14H20N4O2S — CID 71864893

IUPAC1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)NCC(C)(O)c2ccsc2)cn1
InChIInChI=1S/C14H20N4O2S/c1-10(2)18-7-12(6-16-18)17-13(19)15-9-14(3,20)11-4-5-21-8-11/h4-8,10,20H,9H2,1-3H3,(H2,15,17,19)
InChIKeyVCKJITMEVNBLLF-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.55
Rot. Bonds5

About 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea (PubChem CID 71864893) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
PubChem CID71864893
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)NCC(C)(O)c2ccsc2)cn1
InChIInChI=1S/C14H20N4O2S/c1-10(2)18-7-12(6-16-18)17-13(19)15-9-14(3,20)11-4-5-21-8-11/h4-8,10,20H,9H2,1-3H3,(H2,15,17,19)
InChIKeyVCKJITMEVNBLLF-UHFFFAOYSA-N
XLogP2.55
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea (CID 71864893) is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea is CC(C)n1cc(NC(=O)NCC(C)(O)c2ccsc2)cn1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The InChIKey is VCKJITMEVNBLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10(2)18-7-12(6-16-18)17-13(19)15-9-14(3,20)11-4-5-21-8-11/h4-8,10,20H,9H2,1-3H3,(H2,15,17,19).
What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea has a molecular weight of 308.41 g/mol, XLogP of 2.55, 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-(1-propan-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 71864893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).