1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea

C13H18N4OS — CID 122159814

IUPAC1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea
SMILESCC(NC(=O)NCCc1ccsc1)c1cnn(C)c1
InChIInChI=1S/C13H18N4OS/c1-10(12-7-15-17(2)8-12)16-13(18)14-5-3-11-4-6-19-9-11/h4,6-10H,3,5H2,1-2H3,(H2,14,16,18)
InChIKeyMESOJGIDMFPFJQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.08
Rot. Bonds5

About 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea

1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea (PubChem CID 122159814) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea
PubChem CID122159814
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea
SMILESCC(NC(=O)NCCc1ccsc1)c1cnn(C)c1
InChIInChI=1S/C13H18N4OS/c1-10(12-7-15-17(2)8-12)16-13(18)14-5-3-11-4-6-19-9-11/h4,6-10H,3,5H2,1-2H3,(H2,14,16,18)
InChIKeyMESOJGIDMFPFJQ-UHFFFAOYSA-N
XLogP2.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507032
1-[3-(4-chlorophenyl)propyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 125130730
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea
CID 51083632
1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507020
2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid
CID 80689022
1-(2-hydroxy-1-phenylethyl)-3-(2-thiophen-3-ylethyl)urea
CID 110895806
3-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 80689431
N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide
CID 114286312
2-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(thiophen-3-ylmethyl)guanidine
CID 111941013
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea
CID 97088663
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 111454562
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94120734

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea?
The IUPAC name of 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea (CID 122159814) is 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea is CC(NC(=O)NCCc1ccsc1)c1cnn(C)c1.
What is the InChIKey of 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea?
The InChIKey is MESOJGIDMFPFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10(12-7-15-17(2)8-12)16-13(18)14-5-3-11-4-6-19-9-11/h4,6-10H,3,5H2,1-2H3,(H2,14,16,18).
What are the key properties of 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea?
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea has a molecular weight of 278.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea is sourced from PubChem (CID 122159814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).