1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea

C16H18N4OS2 — CID 122244565

IUPAC1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
SMILESCc1nn(CCNC(=O)Nc2cccs2)c(C)c1-c1cccs1
InChIInChI=1S/C16H18N4OS2/c1-11-15(13-5-3-9-22-13)12(2)20(19-11)8-7-17-16(21)18-14-6-4-10-23-14/h3-6,9-10H,7-8H2,1-2H3,(H2,17,18,21)
InChIKeyQYSQZPULRXJMRA-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.11
Rot. Bonds5

About 1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea

1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea (PubChem CID 122244565) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
PubChem CID122244565
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC Name1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
SMILESCc1nn(CCNC(=O)Nc2cccs2)c(C)c1-c1cccs1
InChIInChI=1S/C16H18N4OS2/c1-11-15(13-5-3-9-22-13)12(2)20(19-11)8-7-17-16(21)18-14-6-4-10-23-14/h3-6,9-10H,7-8H2,1-2H3,(H2,17,18,21)
InChIKeyQYSQZPULRXJMRA-UHFFFAOYSA-N
XLogP4.11
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 122244568
2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 122244550
1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
CID 71808177
N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 122244555
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 122161661
1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 121169890
1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea
CID 121078346
1-thiophen-2-yl-3-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 122324002
1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
CID 90588201
1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea
CID 108889188
1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea
CID 110706816
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 121169632

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea (CID 122244565) is 1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea is Cc1nn(CCNC(=O)Nc2cccs2)c(C)c1-c1cccs1.
What is the InChIKey of 1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea?
The InChIKey is QYSQZPULRXJMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-11-15(13-5-3-9-22-13)12(2)20(19-11)8-7-17-16(21)18-14-6-4-10-23-14/h3-6,9-10H,7-8H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea?
1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea has a molecular weight of 346.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 122244565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).