1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea

C15H14N4OS — CID 2815277

IUPAC1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea
SMILESCn1nc(-c2ccccc2)cc1NC(=O)Nc1cccs1
InChIInChI=1S/C15H14N4OS/c1-19-13(16-15(20)17-14-8-5-9-21-14)10-12(18-19)11-6-3-2-4-7-11/h2-10H,1H3,(H2,16,17,20)
InChIKeyCCWDJJVTJQGBHQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.79
Rot. Bonds3

About 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea

1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea (PubChem CID 2815277) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea
PubChem CID2815277
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea
SMILESCn1nc(-c2ccccc2)cc1NC(=O)Nc1cccs1
InChIInChI=1S/C15H14N4OS/c1-19-13(16-15(20)17-14-8-5-9-21-14)10-12(18-19)11-6-3-2-4-7-11/h2-10H,1H3,(H2,16,17,20)
InChIKeyCCWDJJVTJQGBHQ-UHFFFAOYSA-N
XLogP3.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea with MolForge

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Related Compounds

5-Methyl-3-(thiophen-2-yl)-11-thia-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875694
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide
CID 2814958
1-[5-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 2820493
2-[5-amino-3-(2-thienyl)-1H-pyrazol-1-yl]-5,6-dimethylpyrimidin-4(3H)-one
CID 135876321
1-methyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 33783468
1-phenyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 43158972
1-(1-Benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea
CID 2813500
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-thiophen-3-ylethyl)urea
CID 45821205
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 45877407
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47198496
1-[2-(Dimethylamino)-2-thiophen-3-ylethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 53503087
1-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 71797441

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea (CID 2815277) is 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea is Cn1nc(-c2ccccc2)cc1NC(=O)Nc1cccs1.
What is the InChIKey of 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea?
The InChIKey is CCWDJJVTJQGBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-19-13(16-15(20)17-14-8-5-9-21-14)10-12(18-19)11-6-3-2-4-7-11/h2-10H,1H3,(H2,16,17,20).
What are the key properties of 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea?
1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea has a molecular weight of 298.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea is sourced from PubChem (CID 2815277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).