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

C13H18N4OS — CID 51083632

IUPAC1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)NCCc1cnn(C)c1)c1cccs1
InChIInChI=1S/C13H18N4OS/c1-10(12-4-3-7-19-12)16-13(18)14-6-5-11-8-15-17(2)9-11/h3-4,7-10H,5-6H2,1-2H3,(H2,14,16,18)
InChIKeyCGEXULJILNCPRB-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.08
Rot. Bonds5

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

1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea (PubChem CID 51083632) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea
PubChem CID51083632
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)NCCc1cnn(C)c1)c1cccs1
InChIInChI=1S/C13H18N4OS/c1-10(12-4-3-7-19-12)16-13(18)14-6-5-11-8-15-17(2)9-11/h3-4,7-10H,5-6H2,1-2H3,(H2,14,16,18)
InChIKeyCGEXULJILNCPRB-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-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 94120629
2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid
CID 80689022
3-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 80689431
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea
CID 122159814
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 111454562
(2S,3S)-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 80688858
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 80689102
1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 36974759
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea
CID 95129803
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 51084810
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 80689654

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea (CID 51083632) is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea is CC(NC(=O)NCCc1cnn(C)c1)c1cccs1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea?
The InChIKey is CGEXULJILNCPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10(12-4-3-7-19-12)16-13(18)14-6-5-11-8-15-17(2)9-11/h3-4,7-10H,5-6H2,1-2H3,(H2,14,16,18).
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea?
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-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-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea is sourced from PubChem (CID 51083632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).