1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea

C17H18N4OS — CID 155801216

IUPAC1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea
SMILESCn1nccc1-c1ccc(CCNC(=O)Nc2cccs2)cc1
InChIInChI=1S/C17H18N4OS/c1-21-15(9-11-19-21)14-6-4-13(5-7-14)8-10-18-17(22)20-16-3-2-12-23-16/h2-7,9,11-12H,8,10H2,1H3,(H2,18,20,22)
InChIKeyOLMAWLCSVLLBJY-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.51
Rot. Bonds5

About 1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea

1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea (PubChem CID 155801216) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea
PubChem CID155801216
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea
SMILESCn1nccc1-c1ccc(CCNC(=O)Nc2cccs2)cc1
InChIInChI=1S/C17H18N4OS/c1-21-15(9-11-19-21)14-6-4-13(5-7-14)8-10-18-17(22)20-16-3-2-12-23-16/h2-7,9,11-12H,8,10H2,1H3,(H2,18,20,22)
InChIKeyOLMAWLCSVLLBJY-UHFFFAOYSA-N
XLogP3.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide
CID 155801056
1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
CID 90588201
1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea
CID 108889167
1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
CID 71808177
1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea
CID 110706816
1-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-3-thiophen-2-ylurea
CID 163347249
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
CID 112528913
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea
CID 108889261
1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
CID 122244565
1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea
CID 108889188
1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea
CID 118793553

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea (CID 155801216) is 1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea is Cn1nccc1-c1ccc(CCNC(=O)Nc2cccs2)cc1.
What is the InChIKey of 1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea?
The InChIKey is OLMAWLCSVLLBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-21-15(9-11-19-21)14-6-4-13(5-7-14)8-10-18-17(22)20-16-3-2-12-23-16/h2-7,9,11-12H,8,10H2,1H3,(H2,18,20,22).
What are the key properties of 1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea?
1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea has a molecular weight of 326.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 155801216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).