1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea

C16H22N4O2S — CID 71867121

IUPAC1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea
SMILESCCN(Cc1cccs1)C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C16H22N4O2S/c1-2-19(12-15-6-4-8-23-15)16(21)18-13-9-17-20(10-13)11-14-5-3-7-22-14/h4,6,8-10,14H,2-3,5,7,11-12H2,1H3,(H,18,21)
InChIKeyXUKGUZNGVKYSED-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.18
Rot. Bonds6

About 1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea

1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea (PubChem CID 71867121) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea
PubChem CID71867121
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea
SMILESCCN(Cc1cccs1)C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C16H22N4O2S/c1-2-19(12-15-6-4-8-23-15)16(21)18-13-9-17-20(10-13)11-14-5-3-7-22-14/h4,6,8-10,14H,2-3,5,7,11-12H2,1H3,(H,18,21)
InChIKeyXUKGUZNGVKYSED-UHFFFAOYSA-N
XLogP3.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 94811903
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 47070427
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 95899324
3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136524086
3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136521322
1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96567749
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136527849
3-(4-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 87044999
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
3-(3-methylphenyl)-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 24528963

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea (CID 71867121) is 1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea is CCN(Cc1cccs1)C(=O)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of 1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea?
The InChIKey is XUKGUZNGVKYSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-2-19(12-15-6-4-8-23-15)16(21)18-13-9-17-20(10-13)11-14-5-3-7-22-14/h4,6,8-10,14H,2-3,5,7,11-12H2,1H3,(H,18,21).
What are the key properties of 1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea?
1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea has a molecular weight of 334.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71867121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).