1-(1-pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea

C13H18N4OS — CID 47220677

IUPAC1-(1-pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea
SMILESCC(Cn1cccn1)NC(=O)NCCc1cccs1
InChIInChI=1S/C13H18N4OS/c1-11(10-17-8-3-6-15-17)16-13(18)14-7-5-12-4-2-9-19-12/h2-4,6,8-9,11H,5,7,10H2,1H3,(H2,14,16,18)
InChIKeyQAFVVDKLYXWUCG-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.88
Rot. Bonds6

About 1-(1-pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea

1-(1-pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea (PubChem CID 47220677) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(1-pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(1-pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea
PubChem CID47220677
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-(1-pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea
SMILESCC(Cn1cccn1)NC(=O)NCCc1cccs1
InChIInChI=1S/C13H18N4OS/c1-11(10-17-8-3-6-15-17)16-13(18)14-7-5-12-4-2-9-19-12/h2-4,6,8-9,11H,5,7,10H2,1H3,(H2,14,16,18)
InChIKeyQAFVVDKLYXWUCG-UHFFFAOYSA-N
XLogP1.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-Cyanobutyl)pyrazol-4-yl]-3-(2-thiophen-2-ylethyl)urea
CID 3860221
3-pyrazol-1-yl-N-(1-thiophen-2-ylethyl)propanamide
CID 45802489
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 45810582
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-pyrazol-1-ylpropanamide
CID 45811751
3-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
CID 45815352
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-pyrazol-1-ylpropanamide
CID 45815353
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-pyrazol-1-ylpropanamide
CID 45818631
N-(1-pyrazol-1-ylpropan-2-yl)-2-thiophen-2-ylacetamide
CID 45818981
1-[2-(Dimethylamino)-2-thiophen-2-ylethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 45821374
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-3-ylethyl)urea
CID 45828490
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 45831191
N-(3-pyrazol-1-ylpropyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 45831241

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(1-pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea (CID 47220677) is 1-(1-pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(1-pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(1-pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea is CC(Cn1cccn1)NC(=O)NCCc1cccs1.
What is the InChIKey of 1-(1-pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is QAFVVDKLYXWUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-11(10-17-8-3-6-15-17)16-13(18)14-7-5-12-4-2-9-19-12/h2-4,6,8-9,11H,5,7,10H2,1H3,(H2,14,16,18).
What are the key properties of 1-(1-pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea?
1-(1-pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 278.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 47220677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).