1-methyl-3-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-1-(2-thiophen-2-ylethyl)urea

C19H22N4OS — CID 75422929

IUPAC1-methyl-3-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-1-(2-thiophen-2-ylethyl)urea
SMILESCc1ccc(-n2nc(C)cc2NC(=O)N(C)CCc2cccs2)cc1
InChIInChI=1S/C19H22N4OS/c1-14-6-8-16(9-7-14)23-18(13-15(2)21-23)20-19(24)22(3)11-10-17-5-4-12-25-17/h4-9,12-13H,10-11H2,1-3H3,(H,20,24)
InChIKeyMVVIBNJRWNYQFU-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.26
Rot. Bonds5

About 1-methyl-3-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-1-(2-thiophen-2-ylethyl)urea

1-methyl-3-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-1-(2-thiophen-2-ylethyl)urea (PubChem CID 75422929) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-methyl-3-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-1-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-1-(2-thiophen-2-ylethyl)urea
PubChem CID75422929
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name1-methyl-3-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-1-(2-thiophen-2-ylethyl)urea
SMILESCc1ccc(-n2nc(C)cc2NC(=O)N(C)CCc2cccs2)cc1
InChIInChI=1S/C19H22N4OS/c1-14-6-8-16(9-7-14)23-18(13-15(2)21-23)20-19(24)22(3)11-10-17-5-4-12-25-17/h4-9,12-13H,10-11H2,1-3H3,(H,20,24)
InChIKeyMVVIBNJRWNYQFU-UHFFFAOYSA-N
XLogP4.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(4-methylphenyl)sulfonyl-1-(2-thiophen-2-ylethyl)urea
CID 110749043
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 55704725
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyridine-4-carboxamide
CID 71943772
N-butyl-N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 42733567
1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea
CID 96520322
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 106151574
2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 8695024
2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 46583198
N-(2-ethylphenyl)-2-[methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]amino]acetamide
CID 8789331
N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253077
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24579519
3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid
CID 122093816

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-1-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-methyl-3-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-1-(2-thiophen-2-ylethyl)urea (CID 75422929) is 1-methyl-3-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-1-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-1-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-methyl-3-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-1-(2-thiophen-2-ylethyl)urea is Cc1ccc(-n2nc(C)cc2NC(=O)N(C)CCc2cccs2)cc1.
What is the InChIKey of 1-methyl-3-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-1-(2-thiophen-2-ylethyl)urea?
The InChIKey is MVVIBNJRWNYQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-14-6-8-16(9-7-14)23-18(13-15(2)21-23)20-19(24)22(3)11-10-17-5-4-12-25-17/h4-9,12-13H,10-11H2,1-3H3,(H,20,24).
What are the key properties of 1-methyl-3-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-1-(2-thiophen-2-ylethyl)urea?
1-methyl-3-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-1-(2-thiophen-2-ylethyl)urea has a molecular weight of 354.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-1-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 75422929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).