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

C14H18N4O2S — CID 71810270

IUPAC1-[1-(oxan-4-yl)pyrazol-4-yl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C14H18N4O2S/c19-14(15-9-13-2-1-7-21-13)17-11-8-16-18(10-11)12-3-5-20-6-4-12/h1-2,7-8,10,12H,3-6,9H2,(H2,15,17,19)
InChIKeyJHWBWYSNOKDZLG-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.62
Rot. Bonds4

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

1-[1-(oxan-4-yl)pyrazol-4-yl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 71810270) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[1-(oxan-4-yl)pyrazol-4-yl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(oxan-4-yl)pyrazol-4-yl]-3-(thiophen-2-ylmethyl)urea
PubChem CID71810270
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-[1-(oxan-4-yl)pyrazol-4-yl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C14H18N4O2S/c19-14(15-9-13-2-1-7-21-13)17-11-8-16-18(10-11)12-3-5-20-6-4-12/h1-2,7-8,10,12H,3-6,9H2,(H2,15,17,19)
InChIKeyJHWBWYSNOKDZLG-UHFFFAOYSA-N
XLogP2.62
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-Cyanobutyl)pyrazol-4-yl]-3-(2-thiophen-2-ylethyl)urea
CID 3860221
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-pyrazol-1-ylpropanamide
CID 45815353
1-[2-(Dimethylamino)-2-thiophen-2-ylethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 45821374
N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 45831685
N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 45831716
1-[1-(5-Chlorothiophen-2-yl)ethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 45831812
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47220677
1-[2-(Dimethylamino)-2-thiophen-3-ylethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 53502856
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 53504180
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(thiophen-2-yl)acetamide
CID 71810199
1-Methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(2-thiophen-2-ylethyl)urea
CID 72112976
N-[2-(dimethylamino)ethyl]-N'-(1-methyl-1H-pyrazol-4-yl)-N-[(5-methyl-2-thienyl)methyl]urea
CID 72858144

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-yl)pyrazol-4-yl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[1-(oxan-4-yl)pyrazol-4-yl]-3-(thiophen-2-ylmethyl)urea (CID 71810270) is 1-[1-(oxan-4-yl)pyrazol-4-yl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(oxan-4-yl)pyrazol-4-yl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(oxan-4-yl)pyrazol-4-yl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of 1-[1-(oxan-4-yl)pyrazol-4-yl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is JHWBWYSNOKDZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c19-14(15-9-13-2-1-7-21-13)17-11-8-16-18(10-11)12-3-5-20-6-4-12/h1-2,7-8,10,12H,3-6,9H2,(H2,15,17,19).
What are the key properties of 1-[1-(oxan-4-yl)pyrazol-4-yl]-3-(thiophen-2-ylmethyl)urea?
1-[1-(oxan-4-yl)pyrazol-4-yl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 306.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-4-yl)pyrazol-4-yl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71810270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).